2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-3,7-dihydropurin-6-one CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3,7-dihydropurin-6-one IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3,7-dihydropurin-6-one Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-3,7-dihydropurin-6-one Formula: C13H9ClN4O2S MolecularWeight: 320.75416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC(=O)C3=C(N2)N=CN3)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC(=O)C3=C(N2)N=CN3)Cl

InChI

InChI=1S/C13H9ClN4O2S/c14-8-3-1-7(2-4-8)9(19)5-21-13-17-11-10(12(20)18-13)15-6-16-11/h1-4,6H,5H2,(H2,15,16,17,18,20)