3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoylamino]benzoic acid

Systemtic Name: 3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoylamino]benzoic acid CAS Name: 3-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[(4,6-dimethylpyrimidin-2-yl)thio]butanoylamino]benzoic acid Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C17H19N3O3S/c1-4-14(24-17-18-10(2)8-11(3)19-17)15(21)20-13-7-5-6-12(9-13)16(22)23/h5-9,14H,4H2,1-3H3,(H,20,21)(H,22,23)