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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2S/c1-14-3-7-16(8-4-14)11-23-18(28)12-30-22-26-19-20(24-13-25-21(19)29)27(22)17-9-5-15(2)6-10-17/h3-10,13H,11-12H2,1-2H3,(H,23,28)(H,24,25,29)