2-[[methylsulfonyl(phenyl)amino]methyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-[[methylsulfonyl(phenyl)amino]methyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-[(N-methylsulfonylanilino)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-[(N-methylsulfonylanilino)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[(N-methylsulfonylanilino)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 6-keto-2-[(N-mesylanilino)methyl]-1H-pyrimidine-5-carboxylic acid Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=NC=C(C(=O)N1)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N(CC1=NC=C(C(=O)N1)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C13H13N3O5S/c1-22(20,21)16(9-5-3-2-4-6-9)8-11-14-7-10(13(18)19)12(17)15-11/h2-7H,8H2,1H3,(H,18,19)(H,14,15,17)