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

Systemtic Name: 3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3-pyridylmethyl)propanamide CAS Name: 3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(3-pyridylmethyl)propionamide Formula: C20H18N6O2 MolecularWeight: 374.39592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C20H18N6O2/c27-18(22-12-15-5-4-9-21-11-15)8-10-25-14-23-19-17(20(25)28)13-24-26(19)16-6-2-1-3-7-16/h1-7,9,11,13-14H,8,10,12H2,(H,22,27)