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

Systemtic Name: N-(2-phenylpropyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-phenylpropyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2-phenylpropyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-phenylpropyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2-phenylpropyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(CNC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5OS/c1-16(17-8-4-2-5-9-17)12-23-20(28)14-29-22-19-13-26-27(21(19)24-15-25-22)18-10-6-3-7-11-18/h2-11,13,15-16H,12,14H2,1H3,(H,23,28)