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

Systemtic Name: 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(1-methylimidazol-2-yl)sulfanyl-purine-2,6-dione Openeye Name: 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(1-methylimidazol-2-yl)sulfanyl-purine-2,6-dione CAS Name: 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(1-methyl-2-imidazolyl)thio]purine-2,6-dione IUPAC Name: 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-(1-methylimidazol-2-yl)sulfanylpurine-2,6-dione Traditional Name: 7-(3-chlorobenzyl)-1,3-dimethyl-8-[(1-methylimidazol-2-yl)thio]xanthine Formula: C18H17ClN6O2S MolecularWeight: 416.88458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=NC3=C(N2CC4=CC(=CC=C4)Cl)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CN1C=CN=C1SC2=NC3=C(N2CC4=CC(=CC=C4)Cl)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H17ClN6O2S/c1-22-8-7-20-16(22)28-17-21-14-13(15(26)24(3)18(27)23(14)2)25(17)10-11-5-4-6-12(19)9-11/h4-9H,10H2,1-3H3