5-methyl-4-nitro-2-pyrimidin-2-ylsulfanyl-pyridine-3-carboxylic acid

Systemtic Name: 5-methyl-4-nitro-2-pyrimidin-2-ylsulfanyl-pyridine-3-carboxylic acid Openeye Name: 5-methyl-4-nitro-2-pyrimidin-2-ylsulfanyl-pyridine-3-carboxylic acid CAS Name: 5-methyl-4-nitro-2-(2-pyrimidinylthio)-3-pyridinecarboxylic acid IUPAC Name: 5-methyl-4-nitro-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid Traditional Name: 5-methyl-4-nitro-2-(2-pyrimidylthio)nicotinic acid Formula: C11H8N4O4S MolecularWeight: 292.27062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1[N+](=O)[O-])C(=O)O)SC2=NC=CC=N2

Isomeric SMILES

CC1=CN=C(C(=C1[N+](=O)[O-])C(=O)O)SC2=NC=CC=N2

InChI

InChI=1S/C11H8N4O4S/c1-6-5-14-9(20-11-12-3-2-4-13-11)7(10(16)17)8(6)15(18)19/h2-5H,1H3,(H,16,17)