2-methylsulfanyl-4-(2-nitrophenyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-methylsulfanyl-4-(2-nitrophenyl)pyrimidine-5-carboxylic acid Openeye Name: 2-methylsulfanyl-4-(2-nitrophenyl)pyrimidine-5-carboxylic acid CAS Name: 2-(methylthio)-4-(2-nitrophenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-methylsulfanyl-4-(2-nitrophenyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(methylthio)-4-(2-nitrophenyl)pyrimidine-5-carboxylic acid Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C2=CC=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

CSC1=NC=C(C(=N1)C2=CC=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H9N3O4S/c1-20-12-13-6-8(11(16)17)10(14-12)7-4-2-3-5-9(7)15(18)19/h2-6H,1H3,(H,16,17)