3-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]acetyl]amino]benzoic acid Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O3S/c1-13-21-17(14-6-3-2-4-7-14)11-19(22-13)27-12-18(24)23-16-9-5-8-15(10-16)20(25)26/h2-11H,12H2,1H3,(H,23,24)(H,25,26)