disodium 5-[(2E)-2-[3-carboxy-1-(4-oxidanidylperoxysulfanylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]-2-[[5-chloranyl-2,4-bis(fluoranyl)-1,4-dihydropyrimidin-6-yl]amino]benzenesulfonate

Systemtic Name: disodium 5-[(2E)-2-[3-carboxy-1-(4-oxidanidylperoxysulfanylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]-2-[[5-chloranyl-2,4-bis(fluoranyl)-1,4-dihydropyrimidin-6-yl]amino]benzenesulfonate Openeye Name: disodium 5-[(2E)-2-[3-carboxy-1-(4-oxidoperoxysulfanylphenyl)-5-oxo-pyrazol-4-ylidene]hydrazino]-2-[(5-chloro-2,4-difluoro-1,4-dihydropyrimidin-6-yl)amino]benzenesulfonate CAS Name: disodium 5-[(2E)-2-[3-carboxy-1-[4-(oxidodioxythio)phenyl]-5-oxo-4-pyrazolylidene]hydrazinyl]-2-[(5-chloro-2,4-difluoro-1,4-dihydropyrimidin-6-yl)amino]benzenesulfonate IUPAC Name: disodium 5-[(2E)-2-[3-carboxy-1-(4-oxidoperoxysulfanylphenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]-2-[(5-chloro-2,4-difluoro-1,4-dihydropyrimidin-6-yl)amino]benzenesulfonate Traditional Name: disodium 5-[(N'E)-N'-[3-carboxy-5-keto-1-[4-(oxidoperoxythio)phenyl]-2-pyrazolin-4-ylidene]hydrazino]-2-[(5-chloro-2,4-difluoro-1,4-dihydropyrimidin-6-yl)amino]besylate Formula: C20H12ClF2N7Na2O9S2 MolecularWeight: 677.910126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=NNC3=CC(=C(C=C3)NC4=C(C(N=C(N4)F)F)Cl)S(=O)(=O)[O-])C(=N2)C(=O)O)SOO[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)/C(=N/NC3=CC(=C(C=C3)NC4=C(C(N=C(N4)F)F)Cl)S(=O)(=O)[O-])/C(=N2)C(=O)O)SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C20H14ClF2N7O9S2.2Na/c21-13-16(22)25-20(23)26-17(13)24-11-6-1-8(7-12(11)41(35,36)37)27-28-14-15(19(32)33)29-30(18(14)31)9-2-4-10(5-3-9)40-39-38-34;;/h1-7,16,24,27,34H,(H,25,26)(H,32,33)(H,35,36,37);;/q;2*+1/p-2/b28-14+;;