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

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

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2S/c1-13-4-8-17(9-5-13)27-20-19(21(29)24-12-23-20)26-22(27)30-11-18(28)25-16-7-6-14(2)15(3)10-16/h4-10,12H,11H2,1-3H3,(H,25,28)(H,23,24,29)