8-[(4-chlorophenyl)methylsulfanyl]-1,3,9-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(4-chlorophenyl)methylsulfanyl]-1,3,9-trimethyl-purine-2,6-dione Openeye Name: 8-[(4-chlorophenyl)methylsulfanyl]-1,3,9-trimethyl-purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)methylthio]-1,3,9-trimethylpurine-2,6-dione IUPAC Name: 8-[(4-chlorophenyl)methylsulfanyl]-1,3,9-trimethylpurine-2,6-dione Traditional Name: 8-[(4-chlorobenzyl)thio]-1,3,9-trimethyl-xanthine Formula: C15H15ClN4O2S MolecularWeight: 350.8232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC3=CC=C(C=C3)Cl

InChI

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