6-methyl-1-(2-nitrophenyl)-2-sulfanylidene-4H-pyrimidine-3,5-dicarboxylic acid

Systemtic Name: 6-methyl-1-(2-nitrophenyl)-2-sulfanylidene-4H-pyrimidine-3,5-dicarboxylic acid Openeye Name: 6-methyl-1-(2-nitrophenyl)-2-thioxo-4H-pyrimidine-3,5-dicarboxylic acid CAS Name: 6-methyl-1-(2-nitrophenyl)-2-sulfanylidene-4H-pyrimidine-3,5-dicarboxylic acid IUPAC Name: 6-methyl-1-(2-nitrophenyl)-2-sulfanylidene-4H-pyrimidine-3,5-dicarboxylic acid Traditional Name: 6-methyl-1-(2-nitrophenyl)-2-thioxo-4H-pyrimidine-3,5-dicarboxylic acid Formula: C13H11N3O6S MolecularWeight: 337.30794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CN(C(=S)N1C2=CC=CC=C2[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(CN(C(=S)N1C2=CC=CC=C2[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C13H11N3O6S/c1-7-8(11(17)18)6-14(13(19)20)12(23)15(7)9-4-2-3-5-10(9)16(21)22/h2-5H,6H2,1H3,(H,17,18)(H,19,20)