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

Systemtic Name: 6-methyl-2-(methylsulfonylamino)-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid Openeye Name: 2-(methanesulfonamido)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid CAS Name: 2-(methanesulfonamido)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid IUPAC Name: 2-(methanesulfonamido)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid Traditional Name: 2-(methanesulfonamido)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid Formula: C14H14N4O8S MolecularWeight: 398.34796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O8S/c1-7-10(12(19)20)11(8-4-3-5-9(6-8)18(23)24)17(14(21)22)13(15-7)16-27(2,25)26/h3-6,11H,1-2H3,(H,15,16)(H,19,20)(H,21,22)