disodium 4-[(2-azanyl-5-chloranyl-6-fluoranyl-pyrimidin-4-yl)amino]-2-[(2Z)-2-(6-oxidanidylperoxysulfanyl-1-oxidanylidene-naphthalen-2-ylidene)hydrazinyl]benzenesulfonate

Systemtic Name: disodium 4-[(2-azanyl-5-chloranyl-6-fluoranyl-pyrimidin-4-yl)amino]-2-[(2Z)-2-(6-oxidanidylperoxysulfanyl-1-oxidanylidene-naphthalen-2-ylidene)hydrazinyl]benzenesulfonate Openeye Name: disodium 4-[(2-amino-5-chloro-6-fluoro-pyrimidin-4-yl)amino]-2-[(2Z)-2-(6-oxidoperoxysulfanyl-1-oxo-2-naphthylidene)hydrazino]benzenesulfonate CAS Name: disodium 4-[(2-amino-5-chloro-6-fluoro-4-pyrimidinyl)amino]-2-[(2Z)-2-[6-(oxidodioxythio)-1-oxo-2-naphthalenylidene]hydrazinyl]benzenesulfonate IUPAC Name: disodium 4-[(2-amino-5-chloro-6-fluoropyrimidin-4-yl)amino]-2-[(2Z)-2-(6-oxidoperoxysulfanyl-1-oxonaphthalen-2-ylidene)hydrazinyl]benzenesulfonate Traditional Name: disodium 4-[(2-amino-5-chloro-6-fluoro-pyrimidin-4-yl)amino]-2-[(N'Z)-N'-[1-keto-6-(oxidoperoxythio)-2-naphthylidene]hydrazino]besylate Formula: C20H12ClFN6Na2O7S2 MolecularWeight: 612.906223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C(=NC(=N2)N)F)Cl)NN=C3C=CC4=C(C3=O)C=CC(=C4)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C(=NC(=N2)N)F)Cl)N/N=C\3/C=CC4=C(C3=O)C=CC(=C4)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H14ClFN6O7S2.2Na/c21-16-18(22)25-20(23)26-19(16)24-10-2-6-15(37(31,32)33)14(8-10)28-27-13-5-1-9-7-11(36-35-34-30)3-4-12(9)17(13)29;;/h1-8,28,30H,(H,31,32,33)(H3,23,24,25,26);;/q;2*+1/p-2/b27-13-;;