2-[[1-(4-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[1-(4-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-oxo-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-keto-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenethyl-acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-15-7-9-17(10-8-15)27-20-18(13-24-27)21(29)26-22(25-20)30-14-19(28)23-12-11-16-5-3-2-4-6-16/h2-10,13,24H,11-12,14H2,1H3,(H,23,28)