(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl pyridine-3-carboxylate

Systemtic Name: (4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl pyridine-3-carboxylate Openeye Name: (4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid (4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl ester IUPAC Name: (4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl pyridine-3-carboxylate Traditional Name: nicotinic acid (4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl ester Formula: C12H9N5O3 MolecularWeight: 271.23156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCN2C3=NC=NC(=O)C3=CN2

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCN2C3=NC=NC(=O)C3=CN2

InChI

InChI=1S/C12H9N5O3/c18-11-9-5-16-17(10(9)14-6-15-11)7-20-12(19)8-2-1-3-13-4-8/h1-6,16H,7H2