1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(1-methylimidazol-2-yl)sulfanyl-purine-2,6-dione

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(1-methylimidazol-2-yl)sulfanyl-purine-2,6-dione Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(1-methylimidazol-2-yl)sulfanyl-purine-2,6-dione CAS Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-[(1-methyl-2-imidazolyl)thio]purine-2,6-dione IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(1-methylimidazol-2-yl)sulfanylpurine-2,6-dione Traditional Name: 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-[(1-methylimidazol-2-yl)thio]xanthine Formula: C18H16Cl2N6O2S MolecularWeight: 451.32964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C=CN=C1SC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C18H16Cl2N6O2S/c1-23-7-6-21-16(23)29-17-22-14-13(24(17)2)15(27)26(18(28)25(14)3)9-10-4-5-11(19)8-12(10)20/h4-8H,9H2,1-3H3