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

Systemtic Name: 3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-pyridin-3-yl-propanamide Openeye Name: 3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3-pyridyl)propanamide CAS Name: 3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-N-(3-pyridinyl)propanamide IUPAC Name: 3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)-N-pyridin-3-ylpropanamide Traditional Name: 3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3-pyridyl)propionamide Formula: C19H16N6O2 MolecularWeight: 360.36934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)NC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)NC4=CN=CC=C4

InChI

InChI=1S/C19H16N6O2/c26-17(23-14-5-4-9-20-11-14)8-10-24-13-21-18-16(19(24)27)12-22-25(18)15-6-2-1-3-7-15/h1-7,9,11-13H,8,10H2,(H,23,26)