7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylphenyl)sulfanyl-purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylphenyl)sulfanyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(p-tolylsulfanyl)purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylphenyl)thio]purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylphenyl)sulfanylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-1,3-dimethyl-8-(p-tolylthio)xanthine Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H19ClN4O2S/c1-13-4-10-16(11-5-13)29-20-23-18-17(19(27)25(3)21(28)24(18)2)26(20)12-14-6-8-15(22)9-7-14/h4-11H,12H2,1-3H3