1-methyl-5,6-bis(oxidanylidene)-2-[3-[(phenylmethyl)sulfonylamino]thiophen-2-yl]-4H-pyrimidine-4-carboxylic acid

Systemtic Name: 1-methyl-5,6-bis(oxidanylidene)-2-[3-[(phenylmethyl)sulfonylamino]thiophen-2-yl]-4H-pyrimidine-4-carboxylic acid Openeye Name: 2-[3-(benzylsulfonylamino)-2-thienyl]-1-methyl-5,6-dioxo-4H-pyrimidine-4-carboxylic acid CAS Name: 1-methyl-5,6-dioxo-2-[3-[(phenylmethyl)sulfonylamino]-2-thiophenyl]-4H-pyrimidine-4-carboxylic acid IUPAC Name: 2-[3-(benzylsulfonylamino)thiophen-2-yl]-1-methyl-5,6-dioxo-4H-pyrimidine-4-carboxylic acid Traditional Name: 2-[3-(benzylsulfonylamino)-2-thienyl]-5,6-diketo-1-methyl-4H-pyrimidine-4-carboxylic acid Formula: C17H15N3O6S2 MolecularWeight: 421.4475

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(C(=O)C1=O)C(=O)O)C2=C(C=CS2)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NC(C(=O)C1=O)C(=O)O)C2=C(C=CS2)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H15N3O6S2/c1-20-15(18-12(17(23)24)13(21)16(20)22)14-11(7-8-27-14)19-28(25,26)9-10-5-3-2-4-6-10/h2-8,12,19H,9H2,1H3,(H,23,24)