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

Systemtic Name: 4-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]benzoic acid Openeye Name: 4-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]benzoic acid CAS Name: 4-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]benzoic acid Traditional Name: 4-[2-[(6-methylpyrimidin-4-yl)thio]butanoylamino]benzoic acid Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC=NC(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC=NC(=C2)C

InChI

InChI=1S/C16H17N3O3S/c1-3-13(23-14-8-10(2)17-9-18-14)15(20)19-12-6-4-11(5-7-12)16(21)22/h4-9,13H,3H2,1-2H3,(H,19,20)(H,21,22)