N-(3-cyanophenyl)-2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide

Systemtic Name: N-(3-cyanophenyl)-2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-(3-cyanophenyl)-2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-(3-cyanophenyl)-2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-(3-cyanophenyl)-2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-(3-cyanophenyl)-2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C15H12N6O2 MolecularWeight: 308.29478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C15H12N6O2/c1-20-14-12(7-18-20)15(23)21(9-17-14)8-13(22)19-11-4-2-3-10(5-11)6-16/h2-5,7,9H,8H2,1H3,(H,19,22)