methyl 6-(pyridin-4-ylmethylcarbamoyl)pyrimidine-4-carboxylate

Systemtic Name: methyl 6-(pyridin-4-ylmethylcarbamoyl)pyrimidine-4-carboxylate Openeye Name: methyl 6-(4-pyridylmethylcarbamoyl)pyrimidine-4-carboxylate CAS Name: 6-[oxo-(pyridin-4-ylmethylamino)methyl]-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 6-(pyridin-4-ylmethylcarbamoyl)pyrimidine-4-carboxylate Traditional Name: 6-(4-pyridylmethylcarbamoyl)pyrimidine-4-carboxylic acid methyl ester Formula: C13H12N4O3 MolecularWeight: 272.25938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=NC(=C1)C(=O)NCC2=CC=NC=C2

Isomeric SMILES

COC(=O)C1=NC=NC(=C1)C(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C13H12N4O3/c1-20-13(19)11-6-10(16-8-17-11)12(18)15-7-9-2-4-14-5-3-9/h2-6,8H,7H2,1H3,(H,15,18)