N-(2,3-dimethylphenyl)-2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[(6-oxo-9-phenyl-3H-purin-8-yl)thio]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[(6-keto-9-phenyl-3H-purin-8-yl)thio]acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=C(N2C4=CC=CC=C4)NC=NC3=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=C(N2C4=CC=CC=C4)NC=NC3=O)C

InChI

InChI=1S/C21H19N5O2S/c1-13-7-6-10-16(14(13)2)24-17(27)11-29-21-25-18-19(22-12-23-20(18)28)26(21)15-8-4-3-5-9-15/h3-10,12H,11H2,1-2H3,(H,24,27)(H,22,23,28)