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

Systemtic Name: N-(4-ethanoylphenyl)-2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanyl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-[[6-oxo-9-(p-tolyl)-3H-purin-8-yl]sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[[6-keto-9-(p-tolyl)-3H-purin-8-yl]thio]acetamide Formula: C22H19N5O3S MolecularWeight: 433.48296

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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=C(C=C4)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O3S/c1-13-3-9-17(10-4-13)27-20-19(21(30)24-12-23-20)26-22(27)31-11-18(29)25-16-7-5-15(6-8-16)14(2)28/h3-10,12H,11H2,1-2H3,(H,25,29)(H,23,24,30)