4-[2-(4-methyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: 4-[2-(4-methyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: 4-[[2-(4-methyl-6-oxido-pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(4-methyl-6-oxido-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(4-methyl-6-oxidopyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-methyl-6-oxido-pyrimidin-2-yl)thio]acetyl]amino]benzoate Formula: C14H11N3O4S-2 MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4S/c1-8-6-11(18)17-14(15-8)22-7-12(19)16-10-4-2-9(3-5-10)13(20)21/h2-6H,7H2,1H3,(H,16,19)(H,20,21)(H,15,17,18)/p-2