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

Systemtic Name: N-(3-methylphenyl)-2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanyl]ethanamide Openeye Name: N-(m-tolyl)-2-[[6-oxo-9-(p-tolyl)-3H-purin-8-yl]sulfanyl]acetamide CAS Name: N-(3-methylphenyl)-2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-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-(m-tolyl)acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NC4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NC4=CC=CC(=C4)C

InChI

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