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

Systemtic Name: 2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: N-(4-isopropylphenyl)-2-[[6-oxo-9-(p-tolyl)-3H-purin-8-yl]sulfanyl]acetamide CAS Name: 2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]thio]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[[6-keto-9-(p-tolyl)-3H-purin-8-yl]thio]-N-p-cumenyl-acetamide Formula: C23H23N5O2S MolecularWeight: 433.52602

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O2S/c1-14(2)16-6-8-17(9-7-16)26-19(29)12-31-23-27-20-21(24-13-25-22(20)30)28(23)18-10-4-15(3)5-11-18/h4-11,13-14H,12H2,1-3H3,(H,26,29)(H,24,25,30)