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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-(p-tolylmethylsulfanyl)purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-[(4-methylphenyl)methylthio]purine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-3,7-dimethyl-8-[(4-methylbenzyl)thio]xanthine Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN4O2S/c1-14-4-6-16(7-5-14)13-30-21-24-19-18(25(21)2)20(28)27(22(29)26(19)3)12-15-8-10-17(23)11-9-15/h4-11H,12-13H2,1-3H3