3-(2-pyrimidin-2-ylsulfanylbutanoylamino)benzoic acid

Systemtic Name: 3-(2-pyrimidin-2-ylsulfanylbutanoylamino)benzoic acid Openeye Name: 3-(2-pyrimidin-2-ylsulfanylbutanoylamino)benzoic acid CAS Name: 3-[[1-oxo-2-(2-pyrimidinylthio)butyl]amino]benzoic acid IUPAC Name: 3-(2-pyrimidin-2-ylsulfanylbutanoylamino)benzoic acid Traditional Name: 3-[2-(2-pyrimidylthio)butanoylamino]benzoic acid Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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