2-[6-oxidanylidene-5-(2-phenylpropan-2-ylcarbamoyl)-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid

Systemtic Name: 2-[6-oxidanylidene-5-(2-phenylpropan-2-ylcarbamoyl)-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid Openeye Name: 2-[5-[(1-methyl-1-phenyl-ethyl)carbamoyl]-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid CAS Name: 2-[6-oxo-5-[oxo-(2-phenylpropan-2-ylamino)methyl]-1H-pyrimidin-2-yl]-4-pyridinecarboxylic acid IUPAC Name: 2-[6-oxo-5-(2-phenylpropan-2-ylcarbamoyl)-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid Traditional Name: 2-[5-(cumylcarbamoyl)-6-keto-1H-pyrimidin-2-yl]isonicotinic acid Formula: C20H18N4O4 MolecularWeight: 378.38132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)NC(=O)C2=CN=C(NC2=O)C3=NC=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)NC(=O)C2=CN=C(NC2=O)C3=NC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H18N4O4/c1-20(2,13-6-4-3-5-7-13)24-18(26)14-11-22-16(23-17(14)25)15-10-12(19(27)28)8-9-21-15/h3-11H,1-2H3,(H,24,26)(H,27,28)(H,22,23,25)