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Pteridines and derivatives
Description:
Polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine.
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4-[N-(2,4-Diamino-6-pteridinylmethyl)-N-methylamino]benzoic acidCas Number: 19741-14-1Formula: C15H15N7O2 Molecular Weight: 325.33IUPAC Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoic acidSMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)OInChIKey: LWCXZSDKANNOAR-UHFFFAOYSA-NInChI: InChI=1S/C15H15N7O2/c1-22(10-4-2-8(3-5-10)14(23)24)7-9-6-18-13-11(19-9)12(16)20-15(17)21-13/h2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21)Synonyms: DTXSID20173427 | MFCD00075774 | a-naphthoquinone | 4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzoicacid | C...
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Riboflavin-(dioxopyrimidine-¹³C₄,¹⁵N₂)Cas Number: 1217461-14-7 Compound CID: 493570Molecular Weight: 382.32SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)OInChIKey: AUNGANRZJHBGPY-HAIGJTSVSA-NInChI: show moreSynonyms: Vitamin G-(dioxopyrimidine-¹³C₄,¹⁵N₂), (–)-Riboflavin-(dioxopyrimidine-¹³C₄,¹⁵N₂), Vitamin B₂-(dioxopyrimidine-¹³C₄,¹⁵N...
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(−)-RiboflavinFormula: C17H20N4O6 Molecular Weight: 376.36IUPAC Name: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dioneSMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)OInChIKey: AUNGANRZJHBGPY-SCRDCRAPSA-NInChI: show moreSynonyms: Q-200410 | Vitamin B2; E101 | 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo(g)pteridin-10(2H)-yl)-D-ribitol | Ri...
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(−)-RiboflavinFormula: C17H20N4O6 Molecular Weight: 376.36IUPAC Name: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dioneSMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)OInChIKey: AUNGANRZJHBGPY-SCRDCRAPSA-NInChI: show moreSynonyms: Q-200410 | Vitamin B2; E101 | 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo(g)pteridin-10(2H)-yl)-D-ribitol | Ri...
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2,4-Diamino-6-(hydroxymethyl)pteridineCas Number: 945-24-4Formula: C7H8N6O Molecular Weight: 192.18IUPAC Name: (2,4-diaminopteridin-6-yl)methanolSMILES: C1=C(N=C2C(=NC(=NC2=N1)N)N)COInChIKey: CYNARAWTVHQHDI-UHFFFAOYSA-NInChI: InChI=1S/C7H8N6O/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4/h1,14H,2H2,(H4,8,9,10,12,13)Synonyms: UNII-1RU16O4RO0 | 4,6-Diamino-1,3,5-triazin-2(1H)-one | Benzo[d][1,2,3]triazin-4(3H)-one | SD-096950 | 6-Hydroxymethy...
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Xanthopterin HydrateCas Number: 5979-01-1 Compound CID: 135465063Formula: C6H5N5O2·xH2O Molecular Weight: 179.14(anhy)IUPAC Name: 2-amino-3,5-dihydropteridine-4,6-dione;hydrateSMILES: C1=NC2=C(C(=O)NC(=N2)N)NC1=O.OInChIKey: GXYCFNCAIXIUMR-UHFFFAOYSA-NInChI: InChI=1S/C6H5N5O2.H2O/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4;/h1H,(H,9,12)(H3,7,8,10,11,13);1H2Synonyms: Xanthopterin monohydrate|xanthopterin hydrate|5979-01-1|Xanthopterin (hydrate)|2-amino-3,5-dihydropteridine-4,6-dione...
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TG100713Cas Number: 925705-73-3 Compound CID: 17751063Formula: C12H10N6 Molecular Weight: 254.25IUPAC Name: 3-(2,4-diaminopteridin-6-yl)phenolSMILES: C1=CC(=CC(=C1)O)C2=CN=C3C(=N2)C(=NC(=N3)N)NInChIKey: UOORQSPLBHUQDQ-UHFFFAOYSA-NInChI: InChI=1S/C12H10N6O/c13-10-9-11(18-12(14)17-10)15-5-8(16-9)6-2-1-3-7(19)4-6/h1-5,19H,(H4,13,14,15,17,18)Synonyms: 925705-73-3|TG 100713|3-(2,4-diaminopteridin-6-yl)phenol|TG100713|tg-100713|3-(2,4-DIAMINO-6-PTERIDINYL)-PHENOL|SCHEM...
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Sapropterin dihydrochlorideCas Number: 69056-38-8 Compound CID: 135409471Formula: C9H17Cl2N5O3 Molecular Weight: 314.17IUPAC Name: (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochlorideSMILES: CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O.Cl.ClInChIKey: RKSUYBCOVNCALL-NTVURLEBSA-NInChI: InChI=1S/C9H15N5O3.2ClH/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7;;/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17);2*1H/t3-,4+,6-;;/m0../s1Synonyms: Sapropterin dihydrochloride|69056-38-8|Biopten|SAPROPTERIN HYDROCHLORIDE|Sapropterin HCl|Kuvan|(R)-2-Amino-6-((1R,2S)...
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Sapropterin dihydrochlorideCas Number: 69056-38-8 Compound CID: 135409471Formula: C9H17Cl2N5O3 Molecular Weight: 314.17IUPAC Name: (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochlorideSMILES: CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O.Cl.ClInChIKey: RKSUYBCOVNCALL-NTVURLEBSA-NInChI: InChI=1S/C9H15N5O3.2ClH/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7;;/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17);2*1H/t3-,4+,6-;;/m0../s1Synonyms: Biopten (TN) | 4-Fluoro-beta-nitrostyrene, >=98.5% (sum of isomers, GC) | Sapropterin dihydrochloride (USAN) | (6R)-2...
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SD-208Cas Number: 627536-09-8 Compound CID: 10316032Formula: C17H10ClFN6 Molecular Weight: 352.75IUPAC Name: 2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amineSMILES: C1=CC(=C(C=C1Cl)C2=NC3=NC=CN=C3C(=N2)NC4=CC=NC=C4)FInChIKey: BERLXWPRSBJFHO-UHFFFAOYSA-NInChI: InChI=1S/C17H10ClFN6/c18-10-1-2-13(19)12(9-10)15-24-16-14(21-7-8-22-16)17(25-15)23-11-3-5-20-6-4-11/h1-9H,(H,20,22,23,24,25)Synonyms: SD-208|627536-09-8|SD208|SD 208|2-(5-chloro-2-fluorophenyl)-N-(pyridin-4-yl)pteridin-4-amine|2-(5-chloro-2-fluorophen...
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SCR7 pyrazineCas Number: 14892-97-8 Compound CID: 10688007Formula: C18H12N4OS Molecular Weight: 332.38IUPAC Name: 6,7-diphenyl-2-sulfanylidene-1H-pteridin-4-oneSMILES: C1=CC=C(C=C1)C2=NC3=C(NC(=S)NC3=O)N=C2C4=CC=CC=C4InChIKey: GSRTWXVBHGOUBU-UHFFFAOYSA-NInChI: InChI=1S/C18H12N4OS/c23-17-15-16(21-18(24)22-17)20-14(12-9-5-2-6-10-12)13(19-15)11-7-3-1-4-8-11/h1-10H,(H2,20,21,22,23,24)Synonyms: SCR7 pyrazine|14892-97-8|SCR7Pyrazine|6,7-diphenyl-2-sulfanylpteridin-4-ol|6,7-diphenyl-2-sulfanylidene-1H-pteridin-4...
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Riboflavin TetrabutyrateCas Number: 752-56-7 Compound CID: 92140Formula: C33H44N4O10 Molecular Weight: 656.73IUPAC Name: [(2R,3S,4S)-2,3,4-tri(butanoyloxy)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)pentyl] butanoateSMILES: CCCC(=O)OCC(C(C(CN1C2=C(C=C(C(=C2)C)C)N=C3C1=NC(=O)NC3=O)OC(=O)CCC)OC(=O)CCC)OC(=O)CCCInChIKey: MJNIWUJSIGSWKK-BBANNHEPSA-NInChI: show moreSynonyms: Riboflavin tetrabutyrate|752-56-7|Riboflavine tetrabutyrate|Vitamin B2 tetrabutyrate|Riboflavin, 2',3',4',5'-tetrabut...
