1-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-9-methyl-purin-6-one

Systemtic Name: 1-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-9-methyl-purin-6-one Openeye Name: 1-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-9-methyl-purin-6-one CAS Name: 1-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-9-methyl-6-purinone IUPAC Name: 1-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-9-methylpurin-6-one Traditional Name: 1-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-9-methyl-purin-6-one Formula: C20H14Cl2N4O2S MolecularWeight: 445.32176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H14Cl2N4O2S/c1-25-11-23-17-18(25)24-20(26(19(17)28)15-8-6-14(22)7-9-15)29-10-16(27)12-2-4-13(21)5-3-12/h2-9,11H,10H2,1H3