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Imidazopyrimidines
Description:
Organic polycyclic compounds containing an imidazole ring fused to a pyrimidine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
Ancestors:
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N-(7H-Purin-6-yl)hydroxylamineFormula: C5H5N5O Molecular Weight: 151.13IUPAC Name: N-(7H-purin-6-yl)hydroxylamineSMILES: C1=NC2=C(N1)C(=NC=N2)NOInChIKey: CBCQWVQNMGNYEO-UHFFFAOYSA-NInChI: InChI=1S/C5H5N5O/c11-10-5-3-4(7-1-6-3)8-2-9-5/h1-2,11H,(H2,6,7,8,9,10) -
ArofyllineCas Number: 136145-07-8 Compound CID: 166553Formula: C14H13ClN4O2 Molecular Weight: 304.73IUPAC Name: 3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dioneSMILES: CCCN1C(=O)C2=C(N=CN2)N(C1=O)C3=CC=C(C=C3)ClInChIKey: GVTLDPJNRVMCAL-UHFFFAOYSA-NInChI: InChI=1S/C14H13ClN4O2/c1-2-7-18-13(20)11-12(17-8-16-11)19(14(18)21)10-5-3-9(15)4-6-10/h3-6,8H,2,7H2,1H3,(H,16,17)
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7-benzyl-2,6-dichloro-7H-purineCas Number: 56025-87-7 Compound CID: 245263Formula: C12H8Cl2N4 Molecular Weight: 279.13IUPAC Name: 7-benzyl-2,6-dichloropurineSMILES: C1=CC=C(C=C1)CN2C=NC3=C2C(=NC(=N3)Cl)ClInChIKey: XRCTVEFABOUQNI-UHFFFAOYSA-NInChI: InChI=1S/C12H8Cl2N4/c13-10-9-11(17-12(14)16-10)15-7-18(9)6-8-4-2-1-3-5-8/h1-5,7H,6H2 -
4-(1H-Purin-6-yl)morpholineCas Number: 2846-96-0 Compound CID: 76098Formula: C9H11N5O Molecular Weight: 205.22IUPAC Name: 4-(7H-purin-6-yl)morpholineSMILES: C1COCCN1C2=NC=NC3=C2NC=N3InChIKey: MEOMXKNIFWDDGZ-UHFFFAOYSA-NInChI: InChI=1S/C9H11N5O/c1-3-15-4-2-14(1)9-7-8(11-5-10-7)12-6-13-9/h5-6H,1-4H2,(H,10,11,12,13)
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4-((7H-Purin-6-yl)amino)-2-methylbutan-1-olIUPAC Name: 2-methyl-4-(7H-purin-6-ylamino)butan-1-olSMILES: CC(CCNC1=NC=NC2=C1NC=N2)COInChIKey: XXFACTAYGKKOQB-UHFFFAOYSA-NInChI: InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)
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2-Chloro-6-methoxypurineCas Number: 1198-46-5 Compound CID: 640871Formula: C6H5ClN4O Molecular Weight: 184.58IUPAC Name: 2-chloro-6-methoxy-7H-purineSMILES: COC1=NC(=NC2=C1NC=N2)ClInChIKey: MTDSMFYWSAISJR-UHFFFAOYSA-NInChI: InChI=1S/C6H5ClN4O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H,8,9,10,11)
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2-Chloro-9-methyl-9H-purin-6-amineCas Number: 7013-21-0 Compound CID: 145989Formula: C6H6ClN5 Molecular Weight: 183.6IUPAC Name: 2-chloro-9-methylpurin-6-amineSMILES: CN1C=NC2=C(N=C(N=C21)Cl)NInChIKey: XBMKMJLOOAHOKH-UHFFFAOYSA-NInChI: InChI=1S/C6H6ClN5/c1-12-2-9-3-4(8)10-6(7)11-5(3)12/h2H,1H3,(H2,8,10,11)
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2-Chloro-9-methyl-7H-purin-8(9H)-oneCas Number: 1273315-11-9 Compound CID: 82406358Formula: C6H5ClN4O Molecular Weight: 184.58IUPAC Name: 2-chloro-9-methyl-7H-purin-8-oneSMILES: CN1C2=NC(=NC=C2NC1=O)ClInChIKey: ZZUVVSFIAPUPAF-UHFFFAOYSA-NInChI: InChI=1S/C6H5ClN4O/c1-11-4-3(9-6(11)12)2-8-5(7)10-4/h2H,1H3,(H,9,12)
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rac-Tenofovir-d7Cas Number: 107021-12-5 Compound CID: 64987Formula: C9H14N5O4P Molecular Weight: 287.21IUPAC Name: 1-(6-aminopurin-9-yl)propan-2-yloxymethylphosphonic acidSMILES: CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OInChIKey: SGOIRFVFHAKUTI-UHFFFAOYSA-NInChI: InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)
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Desmethyl-VS-5584Cas Number: 1246535-95-4 Compound CID: 70224122Formula: C16H20N8O Molecular Weight: 340.38IUPAC Name: 5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amineSMILES: CC(C)N1C=NC2=C(N=C(N=C21)N3CCOCC3)C4=CN=C(N=C4)NInChIKey: NGDDJJKHNGAOCH-UHFFFAOYSA-NInChI: InChI=1S/C16H20N8O/c1-10(2)24-9-20-13-12(11-7-18-15(17)19-8-11)21-16(22-14(13)24)23-3-5-25-6-4-23/h7-10H,3-6H2,1-2H3,(H2,17,18,19)
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9-Propenyladenine (Tenofovir Impurity)Cas Number: 1446486-33-4 Compound CID: 71812668IUPAC Name: 9-[(E)-prop-1-enyl]purin-6-amineSMILES: CC=CN1C=NC2=C(N=CN=C21)NInChIKey: ACWCANXGLNLMJB-NSCUHMNNSA-NInChI: InChI=1S/C8H9N5/c1-2-3-13-5-12-6-7(9)10-4-11-8(6)13/h2-5H,1H3,(H2,9,10,11)/b3-2+
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9-Benzyl-2，6-dichloro-9H-purineCas Number: 79064-26-9 Compound CID: 236641Formula: C12H8Cl2N4 Molecular Weight: 279.13IUPAC Name: 9-benzyl-2,6-dichloropurineSMILES: C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3Cl)ClInChIKey: CUYCHULDTCBWLI-UHFFFAOYSA-NInChI: InChI=1S/C12H8Cl2N4/c13-10-9-11(17-12(14)16-10)18(7-15-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
