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

Systemtic Name: 7-butyl-8-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-butyl-8-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-butyl-8-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-methylpurine-2,6-dione IUPAC Name: 7-butyl-8-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-butyl-8-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-3-methyl-xanthine Formula: C18H19ClN4O3S MolecularWeight: 406.88646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H19ClN4O3S/c1-3-4-9-23-14-15(22(2)17(26)21-16(14)25)20-18(23)27-10-13(24)11-5-7-12(19)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,21,25,26)