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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(CNC(=O)CSC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3)C4=CC=CC=C4

InChI

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