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

Systemtic Name: 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid Openeye Name: 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid CAS Name: 6-methyl-2-(methylthio)-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid IUPAC Name: 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid Traditional Name: 6-methyl-2-(methylthio)-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O6S/c1-7-10(12(18)19)11(16(14(20)21)13(15-7)24-2)8-4-3-5-9(6-8)17(22)23/h3-6,11H,1-2H3,(H,18,19)(H,20,21)