6-methyl-5-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-methyl-5-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-methyl-5-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]pyrimidin-4-olate CAS Name: 6-methyl-5-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-methyl-5-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-[2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-6-methyl-pyrimidin-4-olate Formula: C22H23N4O4S2- MolecularWeight: 471.57242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H24N4O4S2/c1-15-19(21(28)26-22(25-15)31-14-17-5-3-2-4-6-17)13-20(27)24-12-11-16-7-9-18(10-8-16)32(23,29)30/h2-10H,11-14H2,1H3,(H,24,27)(H2,23,29,30)(H,25,26,28)/p-1