N-(4-ethoxyphenyl)-2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanyl]ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[[6-oxo-9-(p-tolyl)-3H-purin-8-yl]sulfanyl]acetamide CAS Name: N-(4-ethoxyphenyl)-2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]thio]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]sulfanyl]acetamide Traditional Name: 2-[[6-keto-9-(p-tolyl)-3H-purin-8-yl]thio]-N-p-phenetyl-acetamide Formula: C22H21N5O3S MolecularWeight: 435.49884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C4=CC=C(C=C4)C)NC=NC3=O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C4=CC=C(C=C4)C)NC=NC3=O

InChI

InChI=1S/C22H21N5O3S/c1-3-30-17-10-6-15(7-11-17)25-18(28)12-31-22-26-19-20(23-13-24-21(19)29)27(22)16-8-4-14(2)5-9-16/h4-11,13H,3,12H2,1-2H3,(H,25,28)(H,23,24,29)