3-[2-(6-phenylpyrimidin-4-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-(6-phenylpyrimidin-4-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[(6-phenylpyrimidin-4-yl)thio]acetyl]amino]benzoic acid Formula: C19H15N3O3S MolecularWeight: 365.4057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)SCC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)SCC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H15N3O3S/c23-17(22-15-8-4-7-14(9-15)19(24)25)11-26-18-10-16(20-12-21-18)13-5-2-1-3-6-13/h1-10,12H,11H2,(H,22,23)(H,24,25)