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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-methylsulfanyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(methylthio)purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-1,3-dimethyl-8-(methylthio)xanthine Formula: C15H15ClN4O2S MolecularWeight: 350.8232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H15ClN4O2S/c1-18-12-11(13(21)19(2)15(18)22)20(14(17-12)23-3)8-9-4-6-10(16)7-5-9/h4-7H,8H2,1-3H3