4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate

Systemtic Name: 4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate Openeye Name: 4-(3-pyridylmethylamino)pyrimidine-5-carboxylate CAS Name: 4-(3-pyridinylmethylamino)-5-pyrimidinecarboxylate IUPAC Name: 4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylate Traditional Name: 4-(3-pyridylmethylamino)pyrimidine-5-carboxylate Formula: C11H9N4O2- MolecularWeight: 229.21476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=NC=NC=C2C(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CNC2=NC=NC=C2C(=O)[O-]

InChI

InChI=1S/C11H10N4O2/c16-11(17)9-6-13-7-15-10(9)14-5-8-2-1-3-12-4-8/h1-4,6-7H,5H2,(H,16,17)(H,13,14,15)/p-1