7-[2-(4-chlorophenyl)ethyl]-3-methyl-8-phenacylsulfanyl-purine-2,6-dione

Systemtic Name: 7-[2-(4-chlorophenyl)ethyl]-3-methyl-8-phenacylsulfanyl-purine-2,6-dione Openeye Name: 7-[2-(4-chlorophenyl)ethyl]-3-methyl-8-phenacylsulfanyl-purine-2,6-dione CAS Name: 7-[2-(4-chlorophenyl)ethyl]-3-methyl-8-(phenacylthio)purine-2,6-dione IUPAC Name: 7-[2-(4-chlorophenyl)ethyl]-3-methyl-8-phenacylsulfanylpurine-2,6-dione Traditional Name: 7-[2-(4-chlorophenyl)ethyl]-3-methyl-8-(phenacylthio)xanthine Formula: C22H19ClN4O3S MolecularWeight: 454.92926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CCC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4O3S/c1-26-19-18(20(29)25-21(26)30)27(12-11-14-7-9-16(23)10-8-14)22(24-19)31-13-17(28)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,25,29,30)