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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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Phenyl ((((R)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonateCas Number: 379270-35-6 Compound CID: 59734916Formula: C15H18N5O4P Molecular Weight: 363.31IUPAC Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphinic acidSMILES: CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OC3=CC=CC=C3InChIKey: ITAMCOCNZJPJDF-LLVKDONJSA-NInChI: show more -
8-Cyclopentyl-1,3-dipropylxanthineCas Number: 102146-07-6 Compound CID: 1329Formula: C16H24N4O2 Molecular Weight: 304.39IUPAC Name: 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dioneSMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCCC3InChIKey: FFBDFADSZUINTG-UHFFFAOYSA-NInChI: InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)Synonyms: PD 116948 | DPCPX -
8-Cyclopentyl-1,3-dimethylxanthineCas Number: 35873-49-5 Compound CID: 1917Formula: C12H16N4O2 Molecular Weight: 248.28IUPAC Name: 8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dioneSMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3CCCC3InChIKey: SCVHFRLUNIOSGI-UHFFFAOYSA-NInChI: InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14) -
8-(Hydroxymethyl)-1，3-dimethyl-1H-purine-2，6(3H，7H)-dioneCas Number: 2879-16-5Formula: C8H10N4O3 Molecular Weight: 210.19SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)COInChIKey: GHYKZCOUOKEWNN-UHFFFAOYSA-NInChI: InChI=1S/C8H10N4O3/c1-11-6-5(9-4(3-13)10-6)7(14)12(2)8(11)15/h13H,3H2,1-2H3,(H,9,10)
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ADENINE SULFATECas Number: 6509-19-9 Compound CID: 44134512Formula: (C5H5N5)2·H2SO4·2H2O Molecular Weight: 368.33IUPAC Name: 7H-purin-6-amine;sulfuric acid;dihydrateSMILES: C1=NC2=NC=NC(=C2N1)N.C1=NC2=NC=NC(=C2N1)N.O.O.OS(=O)(=O)OInChIKey: MKPCNMXYTMQZBE-UHFFFAOYSA-NInChI: InChI=1S/2C5H5N5.H2O4S.2H2O/c2*6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4;;/h2*1-2H,(H3,6,7,8,9,10);(H2,1,2,3,4);2*1H2
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2-Methoxy-1，7，9-trimethyl-7，9-dihydro-1H-purine-6，8-dioneCas Number: 51168-26-4 Compound CID: 15872156Formula: C9H12N4O3 Molecular Weight: 224.22IUPAC Name: 2-methoxy-1,7,9-trimethylpurine-6,8-dioneSMILES: CN1C2=C(N=C(N(C2=O)C)OC)N(C1=O)CInChIKey: ZVQXCXPGLSBNCX-UHFFFAOYSA-NInChI: InChI=1S/C9H12N4O3/c1-11-5-6(12(2)9(11)15)10-8(16-4)13(3)7(5)14/h1-4H3
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2-(((9H-Purin-6-yl)amino)methyl)phenolCas Number: 20366-83-0 Compound CID: 11536042Formula: C12H11N5O Molecular Weight: 241.25IUPAC Name: 2-[(7H-purin-6-ylamino)methyl]phenolSMILES: C1=CC=C(C(=C1)CNC2=NC=NC3=C2NC=N3)OInChIKey: AKOVXPNRITVXAR-UHFFFAOYSA-NInChI: InChI=1S/C12H11N5O/c18-9-4-2-1-3-8(9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7,18H,5H2,(H2,13,14,15,16,17)
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1，3，9-Trimethyl-3，9-dihydro-1H-purine-2，6-dioneCas Number: 519-32-4 Compound CID: 1326Formula: C8H10N4O2IUPAC Name: 1,3,9-trimethylpurine-2,6-dioneSMILES: CN1C=NC2=C1N(C(=O)N(C2=O)C)CInChIKey: LPHGQDQBBGAPDZ-UHFFFAOYSA-NInChI: InChI=1S/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3
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1,3,7-Trimethyluric AcidFormula: C8H10N4O3 Molecular Weight: 210.19IUPAC Name: 1,3,7-trimethyl-9H-purine-2,6,8-trioneSMILES: CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)CInChIKey: BYXCFUMGEBZDDI-UHFFFAOYSA-NInChI: InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)Synonyms: 1,3,7-Trimethyl-9H-purine-2,6,8-trione | 1,3,7-Trimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
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1-Methyluric AcidFormula: C6H6N4O3 Molecular Weight: 182.14IUPAC Name: 1-methyl-7,9-dihydro-3H-purine-2,6,8-trioneSMILES: CN1C(=O)C2=C(NC(=O)N2)NC1=OInChIKey: QFDRTQONISXGJA-UHFFFAOYSA-NInChI: InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)
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2-AP nitrate saltCas Number: 51-16-1Formula: C5H5N5 · HNO3 Molecular Weight: 198.14SMILES: C1=C2C(=NC(=N1)N)N=CN2.[N+](=O)(O)[O-]InChIKey: PGDNOZBGABWZLD-UHFFFAOYSA-NInChI: InChI=1S/C5H5N5.HNO3/c6-5-7-1-3-4(10-5)9-2-8-3;2-1(3)4/h1-2H,(H3,6,7,8,9,10);(H,2,3,4)
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2-(Dimethylamino)-7H-purin-6-olCas Number: 1445-15-4 Compound CID: 135418794Formula: C7H9N5OIUPAC Name: 2-(dimethylamino)-1,7-dihydropurin-6-oneSMILES: CN(C)C1=NC2=C(C(=O)N1)NC=N2InChIKey: XMSMHKMPBNTBOD-UHFFFAOYSA-NInChI: InChI=1S/C7H9N5O/c1-12(2)7-10-5-4(6(13)11-7)8-3-9-5/h3H,1-2H3,(H2,8,9,10,11,13)
