2-[3-methyl-2,6-bis(oxidanylidene)-8-[(4-sulfamoylphenyl)amino]purin-7-yl]ethanoic acid

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-8-[(4-sulfamoylphenyl)amino]purin-7-yl]ethanoic acid Openeye Name: 2-[3-methyl-2,6-dioxo-8-(4-sulfamoylanilino)purin-7-yl]acetic acid CAS Name: 2-[3-methyl-2,6-dioxo-8-(4-sulfamoylanilino)-7-purinyl]acetic acid IUPAC Name: 2-[3-methyl-2,6-dioxo-8-(4-sulfamoylanilino)purin-7-yl]acetic acid Traditional Name: 2-[2,6-diketo-3-methyl-8-(4-sulfamoylanilino)purin-7-yl]acetic acid Formula: C14H14N6O6S MolecularWeight: 394.36256

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)CC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)CC(=O)O

InChI

InChI=1S/C14H14N6O6S/c1-19-11-10(12(23)18-14(19)24)20(6-9(21)22)13(17-11)16-7-2-4-8(5-3-7)27(15,25)26/h2-5H,6H2,1H3,(H,16,17)(H,21,22)(H2,15,25,26)(H,18,23,24)