3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide

Systemtic Name: 3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide Openeye Name: 3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide CAS Name: 3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-N-(1-phenylethyl)propanamide IUPAC Name: 3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide Traditional Name: 3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propionamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2/c1-16(17-8-4-2-5-9-17)25-20(28)12-13-26-15-23-21-19(22(26)29)14-24-27(21)18-10-6-3-7-11-18/h2-11,14-16H,12-13H2,1H3,(H,25,28)