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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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6-ThioguanineCas Number: 154-42-7 EC Number: 205-827-2Formula: C5H5N5S Molecular Weight: 167.19IUPAC Name: 2-amino-3,7-dihydropurine-6-thioneSMILES: C1=NC2=C(N1)C(=S)N=C(N2)NInChIKey: WYWHKKSPHMUBEB-UHFFFAOYSA-NInChI: InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11) -
XanthineFormula: C5H4N4O2 Molecular Weight: 152.11IUPAC Name: 3,7-dihydropurine-2,6-dioneSMILES: C1=NC2=C(N1)C(=O)NC(=O)N2InChIKey: LRFVTYWOQMYALW-UHFFFAOYSA-NInChI: InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) -
3-Isobutyl-1-methylxanthineCas Number: 28822-58-4 EC Number: 249-259-3Formula: C10H14N4O2 Molecular Weight: 222.24IUPAC Name: 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dioneSMILES: CC(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2InChIKey: APIXJSLKIYYUKG-UHFFFAOYSA-NInChI: InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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2-Amino-6-chloropurineCas Number: 10310-21-1 EC Number: 233-686-7Formula: C5H4ClN5 Molecular Weight: 169.57IUPAC Name: 6-chloro-7H-purin-2-amineSMILES: C1=NC2=C(N1)C(=NC(=N2)N)ClInChIKey: RYYIULNRIVUMTQ-UHFFFAOYSA-NInChI: InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)Synonyms: 6-Chloroguanine
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Tenofovir diphosphateCas Number: 166403-66-3 Compound CID: 5481180IUPAC Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acidSMILES: CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OP(=O)(O)OP(=O)(O)OInChIKey: IACQCQDWSIQSRP-ZCFIWIBFSA-NInChI: show more
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8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2，6(3H，7H)-dioneCas Number: 853029-57-9Formula: C20H17BrN6O2 Molecular Weight: 453.29IUPAC Name: 8-bromo-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dioneSMILES: CC#CCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC3=NC4=CC=CC=C4C(=N3)C)CInChIKey: RCZJXCXNYGHNSR-UHFFFAOYSA-NInChI: InChI=1S/C20H17BrN6O2/c1-4-5-10-26-16-17(24-19(26)21)25(3)20(29)27(18(16)28)11-15-22-12(2)13-8-6-7-9-14(13)23-15/h6-9H,10-11H2,1-3H3Synonyms: 1-[(4-Methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-bromoxanthine | 8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-...
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N6-Cyclopropyl-9H-purine-2，6-diamineCas Number: 120503-69-7 Compound CID: 9815488IUPAC Name: 6-N-cyclopropyl-7H-purine-2,6-diamineSMILES: C1CC1NC2=NC(=NC3=C2NC=N3)NInChIKey: IYWUSKBMXQERLH-UHFFFAOYSA-NInChI: InChI=1S/C8H10N6/c9-8-13-6-5(10-3-11-6)7(14-8)12-4-1-2-4/h3-4H,1-2H2,(H4,9,10,11,12,13,14)
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N-Benzyl-2-chloro-9H-purin-6-amineCas Number: 39639-47-9 Compound CID: 10777711Formula: C12H10ClN5 Molecular Weight: 259.69IUPAC Name: N-benzyl-2-chloro-7H-purin-6-amineSMILES: C1=CC=C(C=C1)CNC2=NC(=NC3=C2NC=N3)ClInChIKey: IJKBYBPPNNHJSF-UHFFFAOYSA-NInChI: InChI=1S/C12H10ClN5/c13-12-17-10(9-11(18-12)16-7-15-9)14-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,15,16,17,18)
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N-Benzyl-2-chloro-9-isopropyl-9H-purin-6-amineCas Number: 186692-41-1 Compound CID: 10733091Formula: C15H16ClN5 Molecular Weight: 301.78IUPAC Name: N-benzyl-2-chloro-9-propan-2-ylpurin-6-amineSMILES: CC(C)N1C=NC2=C(N=C(N=C21)Cl)NCC3=CC=CC=C3InChIKey: NSQQTIIWZCVMRW-UHFFFAOYSA-NInChI: InChI=1S/C15H16ClN5/c1-10(2)21-9-18-12-13(19-15(16)20-14(12)21)17-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,19,20)
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Imidazo[1，2-c]pyrimidineCas Number: 274-78-2 Compound CID: 9548860Formula: C6H5N3 Molecular Weight: 119.12IUPAC Name: imidazo[1,2-c]pyrimidineSMILES: C1=CN=CN2C1=NC=C2InChIKey: PQWQQQGKMHENOC-UHFFFAOYSA-NInChI: InChI=1S/C6H5N3/c1-2-7-5-9-4-3-8-6(1)9/h1-5H
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CDK2-IN-13Cas Number: 101622-53-1 Compound CID: 15693435IUPAC Name: N-benzyl-2-chloro-9-methylpurin-6-amineSMILES: CN1C=NC2=C(N=C(N=C21)Cl)NCC3=CC=CC=C3InChIKey: QNKNBVBQFILDGJ-UHFFFAOYSA-NInChI: InChI=1S/C13H12ClN5/c1-19-8-16-10-11(17-13(14)18-12(10)19)15-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,17,18)
