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

Systemtic Name: 4-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]benzoic acid CAS Name: 4-[[3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[3-[(4,6-dimethylpyrimidin-2-yl)thio]propanoylamino]benzoic acid Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S/c1-10-9-11(2)18-16(17-10)23-8-7-14(20)19-13-5-3-12(4-6-13)15(21)22/h3-6,9H,7-8H2,1-2H3,(H,19,20)(H,21,22)