4-[[[6-(thiophen-3-ylmethylcarbamoyl)pyrimidin-4-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[6-(thiophen-3-ylmethylcarbamoyl)pyrimidin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[6-(3-thienylmethylcarbamoyl)pyrimidine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[oxo-[6-[oxo-(3-thiophenylmethylamino)methyl]-4-pyrimidinyl]methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[6-(thiophen-3-ylmethylcarbamoyl)pyrimidine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[6-(3-thenylcarbamoyl)pyrimidine-4-carbonyl]amino]methyl]benzoic acid Formula: C19H16N4O4S MolecularWeight: 396.41974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC(=NC=N2)C(=O)NCC3=CSC=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC(=NC=N2)C(=O)NCC3=CSC=C3)C(=O)O

InChI

InChI=1S/C19H16N4O4S/c24-17(20-8-12-1-3-14(4-2-12)19(26)27)15-7-16(23-11-22-15)18(25)21-9-13-5-6-28-10-13/h1-7,10-11H,8-9H2,(H,20,24)(H,21,25)(H,26,27)