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

Systemtic Name: 4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]benzoic acid Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3S/c1-9-7-10(2)17-15(16-9)22-8-13(19)18-12-5-3-11(4-6-12)14(20)21/h3-7H,8H2,1-2H3,(H,18,19)(H,20,21)