N-(4-ethoxyphenyl)-2-[[5-(4-methylphenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[[5-(4-methylphenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[[4-oxo-5-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide CAS Name: N-(4-ethoxyphenyl)-2-[[5-(4-methylphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[5-(4-methylphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide Traditional Name: 2-[[4-keto-5-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-p-phenetyl-acetamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)C

InChI

InChI=1S/C22H21N5O3S/c1-3-30-17-10-6-15(7-11-17)24-19(28)13-31-22-25-20-18(12-23-26-20)21(29)27(22)16-8-4-14(2)5-9-16/h4-12H,3,13H2,1-2H3,(H,23,26)(H,24,28)