N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-p-phenetyl-acetamide Formula: C24H22N6O2S MolecularWeight: 458.53548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C24H22N6O2S/c1-2-32-20-11-9-18(10-12-20)29(14-6-13-25)22(31)16-33-24-21-15-28-30(23(21)26-17-27-24)19-7-4-3-5-8-19/h3-5,7-12,15,17H,2,6,14,16H2,1H3