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

Systemtic Name: 2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[[6-oxo-9-(p-tolyl)-3H-purin-8-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[[6-keto-9-(p-tolyl)-3H-purin-8-yl]thio]-N-mesityl-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=C(C=C(C=C4C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NC4=C(C=C(C=C4C)C)C

InChI

InChI=1S/C23H23N5O2S/c1-13-5-7-17(8-6-13)28-21-20(22(30)25-12-24-21)27-23(28)31-11-18(29)26-19-15(3)9-14(2)10-16(19)4/h5-10,12H,11H2,1-4H3,(H,26,29)(H,24,25,30)