4-[3-(2-pyridin-4-yl-5,6-dihydro-4H-pyrimidin-1-yl)propylcarbamoylamino]benzoic acid

Systemtic Name: 4-[3-(2-pyridin-4-yl-5,6-dihydro-4H-pyrimidin-1-yl)propylcarbamoylamino]benzoic acid Openeye Name: 4-[3-[2-(4-pyridyl)-5,6-dihydro-4H-pyrimidin-1-yl]propylcarbamoylamino]benzoic acid CAS Name: 4-[[oxo-[3-(2-pyridin-4-yl-5,6-dihydro-4H-pyrimidin-1-yl)propylamino]methyl]amino]benzoic acid IUPAC Name: 4-[3-(2-pyridin-4-yl-5,6-dihydro-4H-pyrimidin-1-yl)propylcarbamoylamino]benzoic acid Traditional Name: 4-[3-[2-(4-pyridyl)-5,6-dihydro-4H-pyrimidin-1-yl]propylcarbamoylamino]benzoic acid Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N(C1)CCCNC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CC=NC=C3

Isomeric SMILES

C1CN=C(N(C1)CCCNC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C20H23N5O3/c26-19(27)16-3-5-17(6-4-16)24-20(28)23-10-2-14-25-13-1-9-22-18(25)15-7-11-21-12-8-15/h3-8,11-12H,1-2,9-10,13-14H2,(H,26,27)(H2,23,24,28)