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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(1-phenylethylsulfanyl)purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(1-phenylethylsulfanyl)purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(1-phenylethylthio)purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(1-phenylethylsulfanyl)purine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-1,3-dimethyl-8-(1-phenylethylthio)xanthine Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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