3-[2-(4,5-dimethyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylethanoylamino]-5-nitro-benzoate

Systemtic Name: 3-[2-(4,5-dimethyl-6-oxidanidyl-pyrimidin-2-yl)sulfanylethanoylamino]-5-nitro-benzoate Openeye Name: 3-[[2-(4,5-dimethyl-6-oxido-pyrimidin-2-yl)sulfanylacetyl]amino]-5-nitro-benzoate CAS Name: 3-[[2-[(4,5-dimethyl-6-oxido-2-pyrimidinyl)thio]-1-oxoethyl]amino]-5-nitrobenzoate IUPAC Name: 3-[[2-(4,5-dimethyl-6-oxidopyrimidin-2-yl)sulfanylacetyl]amino]-5-nitrobenzoate Traditional Name: 3-[[2-[(4,5-dimethyl-6-oxido-pyrimidin-2-yl)thio]acetyl]amino]-5-nitro-benzoate Formula: C15H12N4O6S-2 MolecularWeight: 376.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC(=CC(=C2)C(=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC(=CC(=C2)C(=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C15H14N4O6S/c1-7-8(2)16-15(18-13(7)21)26-6-12(20)17-10-3-9(14(22)23)4-11(5-10)19(24)25/h3-5H,6H2,1-2H3,(H,17,20)(H,22,23)(H,16,18,21)/p-2