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

Systemtic Name: N-(3-ethylphenyl)-2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanyl]ethanamide Openeye Name: N-(3-ethylphenyl)-2-[[6-oxo-9-(p-tolyl)-3H-purin-8-yl]sulfanyl]acetamide CAS Name: N-(3-ethylphenyl)-2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]thio]acetamide IUPAC Name: N-(3-ethylphenyl)-2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]sulfanyl]acetamide Traditional Name: N-(3-ethylphenyl)-2-[[6-keto-9-(p-tolyl)-3H-purin-8-yl]thio]acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(N2C4=CC=C(C=C4)C)NC=NC3=O

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(N2C4=CC=C(C=C4)C)NC=NC3=O

InChI

InChI=1S/C22H21N5O2S/c1-3-15-5-4-6-16(11-15)25-18(28)12-30-22-26-19-20(23-13-24-21(19)29)27(22)17-9-7-14(2)8-10-17/h4-11,13H,3,12H2,1-2H3,(H,25,28)(H,23,24,29)