2-[[(4-chlorophenyl)-methylsulfonyl-amino]methyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-[[(4-chlorophenyl)-methylsulfonyl-amino]methyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-[(4-chloro-N-methylsulfonyl-anilino)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-[(4-chloro-N-methylsulfonylanilino)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[(4-chloro-N-methylsulfonylanilino)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-[(4-chloro-N-mesyl-anilino)methyl]-6-keto-1H-pyrimidine-5-carboxylic acid Formula: C13H12ClN3O5S MolecularWeight: 357.76948

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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=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O5S/c1-23(21,22)17(9-4-2-8(14)3-5-9)7-11-15-6-10(13(19)20)12(18)16-11/h2-6H,7H2,1H3,(H,19,20)(H,15,16,18)