3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-5-nitro-benzoic acid

Systemtic Name: 3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-5-nitro-benzoic acid Openeye Name: 3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-5-nitro-benzoic acid CAS Name: 3-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-5-nitrobenzoic acid IUPAC Name: 3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-5-nitrobenzoic acid Traditional Name: 3-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]-5-nitro-benzoic acid Formula: C15H14N4O5S MolecularWeight: 362.36046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O5S/c1-8-3-9(2)17-15(16-8)25-7-13(20)18-11-4-10(14(21)22)5-12(6-11)19(23)24/h3-6H,7H2,1-2H3,(H,18,20)(H,21,22)