3-[2-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-5-nitro-benzoic acid

Systemtic Name: 3-[2-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-5-nitro-benzoic acid Openeye Name: 3-[[2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-5-nitro-benzoic acid CAS Name: 3-[[2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-5-nitrobenzoic acid IUPAC Name: 3-[[2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-5-nitrobenzoic acid Traditional Name: 3-[[2-[(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)thio]acetyl]amino]-5-nitro-benzoic acid Formula: C15H14N4O6S MolecularWeight: 378.35986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC(=O)NC2=CC(=CC(=C2)C(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(NC(=NC1=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)