4-(2-chloranyl-3-nitro-phenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid

Systemtic Name: 4-(2-chloranyl-3-nitro-phenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid Openeye Name: 4-(2-chloro-3-nitro-phenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid CAS Name: 4-(2-chloro-3-nitrophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid IUPAC Name: 4-(2-chloro-3-nitrophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid Traditional Name: 4-(2-chloro-3-nitro-phenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid Formula: C13H10ClN3O6S MolecularWeight: 371.753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=S)N1)C(=O)O)C2=C(C(=CC=C2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=S)N1)C(=O)O)C2=C(C(=CC=C2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C13H10ClN3O6S/c1-5-8(11(18)19)10(16(13(20)21)12(24)15-5)6-3-2-4-7(9(6)14)17(22)23/h2-4,10H,1H3,(H,15,24)(H,18,19)(H,20,21)