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

Systemtic Name: 4-[2-(6-methylpyrimidin-4-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-(6-methylpyrimidin-4-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(6-methylpyrimidin-4-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(6-methylpyrimidin-4-yl)thio]acetyl]amino]benzoic acid Formula: C14H13N3O3S MolecularWeight: 303.33632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC(=NC=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H13N3O3S/c1-9-6-13(16-8-15-9)21-7-12(18)17-11-4-2-10(3-5-11)14(19)20/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20)