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

Systemtic Name: 3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-[oxo-[(phenylmethyl)amino]methyl]-3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(benzylcarbamoyl)-3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(benzylcarbamoyl)-3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N6O3/c29-19(26-22(31)23-13-16-7-3-1-4-8-16)11-12-27-15-24-20-18(21(27)30)14-25-28(20)17-9-5-2-6-10-17/h1-10,14-15H,11-13H2,(H2,23,26,29,31)