4-[(2-azanyl-5-chloranyl-6-fluoranyl-pyrimidin-4-yl)amino]-2-[(2Z)-2-[1-oxidanylidene-6-(trioxidanylsulfanyl)naphthalen-2-ylidene]hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[(2-azanyl-5-chloranyl-6-fluoranyl-pyrimidin-4-yl)amino]-2-[(2Z)-2-[1-oxidanylidene-6-(trioxidanylsulfanyl)naphthalen-2-ylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 4-[(2-amino-5-chloro-6-fluoro-pyrimidin-4-yl)amino]-2-[(2Z)-2-[1-oxo-6-(trioxidanylsulfanyl)-2-naphthylidene]hydrazino]benzenesulfonic acid CAS Name: 4-[(2-amino-5-chloro-6-fluoro-4-pyrimidinyl)amino]-2-[(2Z)-2-[1-oxo-6-(trioxidanylthio)-2-naphthalenylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[(2-amino-5-chloro-6-fluoropyrimidin-4-yl)amino]-2-[(2Z)-2-[1-oxo-6-(trioxidanylsulfanyl)naphthalen-2-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 4-[(2-amino-5-chloro-6-fluoro-pyrimidin-4-yl)amino]-2-[(N'Z)-N'-[1-keto-6-(trioxidanylthio)-2-naphthylidene]hydrazino]besylic acid Formula: C20H14ClFN6O7S2 MolecularWeight: 568.942563

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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)SOOO)S(=O)(=O)O

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)SOOO)S(=O)(=O)O

InChI

InChI=1S/C20H14ClFN6O7S2/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)/b27-13-