3-[2-(6-methylpyrimidin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: 3-[2-(6-methylpyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: 3-[[2-(6-methylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-(6-methylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(6-methylpyrimidin-4-yl)thio]acetyl]amino]benzoate Formula: C14H12N3O3S- MolecularWeight: 302.32838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=NC=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C14H13N3O3S/c1-9-5-13(16-8-15-9)21-7-12(18)17-11-4-2-3-10(6-11)14(19)20/h2-6,8H,7H2,1H3,(H,17,18)(H,19,20)/p-1