4-[[[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]sulfonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]sulfonylamino]methyl]benzoic acid Openeye Name: 4-[[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]benzoic acid CAS Name: 4-[[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[(2,4-diketo-6-methyl-1H-pyrimidin-5-yl)sulfonylamino]methyl]benzoic acid Formula: C13H13N3O6S MolecularWeight: 339.32382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=O)N1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=O)NC(=O)N1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H13N3O6S/c1-7-10(11(17)16-13(20)15-7)23(21,22)14-6-8-2-4-9(5-3-8)12(18)19/h2-5,14H,6H2,1H3,(H,18,19)(H2,15,16,17,20)