8-[(2-chlorophenyl)methylsulfanyl]-3-methyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-[(2-chlorophenyl)methylsulfanyl]-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[(2-chlorophenyl)methylsulfanyl]-3-methyl-purine-2,6-dione CAS Name: 8-[(2-chlorophenyl)methylthio]-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[(2-chlorophenyl)methylsulfanyl]-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[(2-chlorobenzyl)thio]-3-methyl-xanthine Formula: C16H15ClN4O2S MolecularWeight: 362.8339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3Cl)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3Cl)CC=C

InChI

InChI=1S/C16H15ClN4O2S/c1-3-8-21-12-13(20(2)15(23)19-14(12)22)18-16(21)24-9-10-6-4-5-7-11(10)17/h3-7H,1,8-9H2,2H3,(H,19,22,23)