4-[propyl-[(2-pyridin-4-yl-5,6-dihydro-4H-pyrimidin-1-yl)carbamoyl]amino]benzoic acid

Systemtic Name: 4-[propyl-[(2-pyridin-4-yl-5,6-dihydro-4H-pyrimidin-1-yl)carbamoyl]amino]benzoic acid Openeye Name: 4-[propyl-[[2-(4-pyridyl)-5,6-dihydro-4H-pyrimidin-1-yl]carbamoyl]amino]benzoic acid CAS Name: 4-[[oxo-[(2-pyridin-4-yl-5,6-dihydro-4H-pyrimidin-1-yl)amino]methyl]-propylamino]benzoic acid IUPAC Name: 4-[propyl-[(2-pyridin-4-yl-5,6-dihydro-4H-pyrimidin-1-yl)carbamoyl]amino]benzoic acid Traditional Name: 4-[propyl-[[2-(4-pyridyl)-5,6-dihydro-4H-pyrimidin-1-yl]carbamoyl]amino]benzoic acid Formula: C20H23N5O3 MolecularWeight: 381.42832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=C(C=C1)C(=O)O)C(=O)NN2CCCN=C2C3=CC=NC=C3

Isomeric SMILES

CCCN(C1=CC=C(C=C1)C(=O)O)C(=O)NN2CCCN=C2C3=CC=NC=C3

InChI

InChI=1S/C20H23N5O3/c1-2-13-24(17-6-4-16(5-7-17)19(26)27)20(28)23-25-14-3-10-22-18(25)15-8-11-21-12-9-15/h4-9,11-12H,2-3,10,13-14H2,1H3,(H,23,28)(H,26,27)