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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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5-Methyltetrahydrofolic acid disodium saltCas Number: 68792-52-9Formula: C20H23N7Na2O6 Molecular Weight: 503.42IUPAC Name: disodium;2-[[4-[(2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioateSMILES: CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]InChIKey: KKIWVYLOTHCGRV-UHFFFAOYSA-LInChI: show moreSynonyms: 5-Methyltetrahydrofolic acid disodium salt is also known as 5-Methyl-THF.
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7-hydroxy MethotrexateCas Number: 5939-37-7 Compound CID: 5385077Formula: C₂₀H₂₂N₈O₆・3Na Molecular Weight: 539.4IUPAC Name: 2-[[4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acidSMILES: CN(CC1=NC2=C(N=C(N=C2NC1=O)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)OInChIKey: HODZDDDNGRLGSI-UHFFFAOYSA-NInChI: show more
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RoseoflavinCas Number: 51093-55-1 Compound CID: 170973Formula: C18H23N5O6 Molecular Weight: 405.41IUPAC Name: 8-(dimethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dioneSMILES: CC1=CC2=C(C=C1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)OInChIKey: IGQLDUYTWDABFK-UHFFFAOYSA-NInChI: show more
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6-(chloromethyl)pteridine-2,4-diamine monohydrochlorideCas Number: 82778-08-3Formula: C7H8Cl2N6 Molecular Weight: 247.0846SMILES: C1=C(N=C2C(=NC(=NC2=N1)N)N)CCl.ClInChIKey: SDZKFWPFFHILFI-UHFFFAOYSA-NInChI: InChI=1S/C7H7ClN6.ClH/c8-1-3-2-11-6-4(12-3)5(9)13-7(10)14-6;/h2H,1H2,(H4,9,10,11,13,14);1H
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Folinic acid calcium salt hydrateCas Number: 1492-18-8Formula: C20H21CaN7O7 · xH2O Molecular Weight: 511.50 (anhydrous basis)IUPAC Name: calcium;(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioateSMILES: [Ca++].[H]O[H].[H]C(=O)N1C(CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc3nc(N)nc(O)c13InChIKey: KVUAALJSMIVURS-ZEDZUCNESA-LInChI: show more
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Folinic acid calcium salt hydrateCas Number: 1492-18-8Formula: C20H21CaN7O7 · xH2O Molecular Weight: 511.50 (anhydrous basis)IUPAC Name: calcium;(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioateSMILES: [Ca++].[H]O[H].[H]C(=O)N1C(CNc2ccc(cc2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc3nc(N)nc(O)c13InChIKey: KVUAALJSMIVURS-ZEDZUCNESA-LInChI: show more
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AminopterinCas Number: 54-62-6 EC Number: 200-209-9Formula: C19H20N8O5·xH2O Molecular Weight: 440.41(as Anhydrous)IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acidSMILES: Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1InChIKey: TVZGACDUOSZQKY-LBPRGKRZSA-NInChI: show more
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2,4-DichloropteridineCas Number: 98138-05-7 Compound CID: 45789707Formula: C6H2Cl2N4 Molecular Weight: 201.02IUPAC Name: 2,4-dichloropteridineSMILES: C1=CN=C2C(=N1)C(=NC(=N2)Cl)ClInChIKey: WVSQXWZADZZUSV-UHFFFAOYSA-NInChI: InChI=1S/C6H2Cl2N4/c7-4-3-5(10-2-1-9-3)12-6(8)11-4/h1-2H
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(R)-2-Chloro-7-ethyl-8-isopropyl-7,8-dihydropteridin-6(5H)-oneCas Number: 889877-77-4 Compound CID: 11572412Formula: C11H15ClN4O Molecular Weight: 254.71IUPAC Name: (7R)-2-chloro-7-ethyl-8-propan-2-yl-5,7-dihydropteridin-6-oneSMILES: CCC1C(=O)NC2=CN=C(N=C2N1C(C)C)ClInChIKey: HZKCDOWKVNPXCW-MRVPVSSYSA-NInChI: InChI=1S/C11H15ClN4O/c1-4-8-10(17)14-7-5-13-11(12)15-9(7)16(8)6(2)3/h5-6,8H,4H2,1-3H3,(H,14,17)/t8-/m1/s1
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4-(1-(2,4-Diaminopteridin-6-yl)pent-4-yn-2-yl)benzoicacidCas Number: 146464-93-9 Compound CID: 11002545Formula: C18H16N6O2 Molecular Weight: 348.36IUPAC Name: 4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoic acidSMILES: C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)OInChIKey: YDEZNQPWTMVPCH-UHFFFAOYSA-NInChI: InChI=1S/C18H16N6O2/c1-2-3-12(10-4-6-11(7-5-10)17(25)26)8-13-9-21-16-14(22-13)15(19)23-18(20)24-16/h1,4-7,9,12H,3,8H2,(H,25,26)(H4,19,20,21,23,24)
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2-Chloro-7,8-dihydropteridin-6(5H)-oneCas Number: 875231-98-4 Compound CID: 29919669Formula: C6H5ClN4O Molecular Weight: 184.58IUPAC Name: 2-chloro-7,8-dihydro-5H-pteridin-6-oneSMILES: C1C(=O)NC2=CN=C(N=C2N1)ClInChIKey: OINQHTVVSZHUSS-UHFFFAOYSA-NInChI: InChI=1S/C6H5ClN4O/c7-6-9-1-3-5(11-6)8-2-4(12)10-3/h1H,2H2,(H,10,12)(H,8,9,11)
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