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

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C23H20N6OS MolecularWeight: 428.5095

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C23H20N6OS/c1-17(23(30)28(14-8-13-24)18-9-4-2-5-10-18)31-22-20-15-27-29(21(20)25-16-26-22)19-11-6-3-7-12-19/h2-7,9-12,15-17H,8,14H2,1H3