(2E)-6-[[5-chloranyl-6-fluoranyl-2-[methyl(phenyl)amino]pyrimidin-4-yl]amino]-2-[[2-oxidanyl-5-(trioxidanylsulfanyl)phenyl]hydrazinylidene]-3-(trioxidanylsulfanyl)naphthalen-1-one

Systemtic Name: (2E)-6-[[5-chloranyl-6-fluoranyl-2-[methyl(phenyl)amino]pyrimidin-4-yl]amino]-2-[[2-oxidanyl-5-(trioxidanylsulfanyl)phenyl]hydrazinylidene]-3-(trioxidanylsulfanyl)naphthalen-1-one Openeye Name: (2E)-6-[[5-chloro-6-fluoro-2-(N-methylanilino)pyrimidin-4-yl]amino]-2-[[2-hydroxy-5-(trioxidanylsulfanyl)phenyl]hydrazono]-3-(trioxidanylsulfanyl)naphthalen-1-one CAS Name: (3E)-7-[[5-chloro-6-fluoro-2-(N-methylanilino)-4-pyrimidinyl]amino]-3-[[2-hydroxy-5-(trioxidanylthio)phenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfenic acid hydroperoxy ester IUPAC Name: (2E)-6-[[5-chloro-6-fluoro-2-(N-methylanilino)pyrimidin-4-yl]amino]-2-[[2-hydroxy-5-(trioxidanylsulfanyl)phenyl]hydrazinylidene]-3-(trioxidanylsulfanyl)naphthalen-1-one Traditional Name: (2E)-6-[[5-chloro-6-fluoro-2-(N-methylanilino)pyrimidin-4-yl]amino]-2-[[2-hydroxy-5-(trioxidanylthio)phenyl]hydrazono]-3-(trioxidanylthio)naphthalen-1-one Formula: C27H20ClFN6O8S2 MolecularWeight: 675.064503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)F)Cl)NC3=CC4=C(C=C3)C(=O)C(=NNC5=C(C=CC(=C5)SOOO)O)C(=C4)SOOO

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)F)Cl)NC3=CC4=C(C=C3)C(=O)/C(=N\NC5=C(C=CC(=C5)SOOO)O)/C(=C4)SOOO

InChI

InChI=1S/C27H20ClFN6O8S2/c1-35(16-5-3-2-4-6-16)27-31-25(29)22(28)26(32-27)30-15-7-9-18-14(11-15)12-21(45-43-41-39)23(24(18)37)34-33-19-13-17(44-42-40-38)8-10-20(19)36/h2-13,33,36,38-39H,1H3,(H,30,31,32)/b34-23-