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

Systemtic Name: 3-[2-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[(6-methylpyrimidin-4-yl)thio]propanoylamino]benzoic acid Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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