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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(phenylmethylsulfanyl)purine-2,6-dione Openeye Name: 8-benzylsulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(phenylmethylthio)purine-2,6-dione IUPAC Name: 8-benzylsulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(benzylthio)-7-(4-chlorobenzyl)-1,3-dimethyl-xanthine Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN4O2S/c1-24-18-17(19(27)25(2)21(24)28)26(12-14-8-10-16(22)11-9-14)20(23-18)29-13-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3