(3E)-3-[[4-[[5-chloranyl-2,4-bis(fluoranyl)-1,4-dihydropyrimidin-6-yl]amino]-2-(trioxidanylsulfanyl)phenyl]hydrazinylidene]-4-oxidanylidene-6-phenylazanyl-naphthalene-2-sulfonic acid

Systemtic Name: (3E)-3-[[4-[[5-chloranyl-2,4-bis(fluoranyl)-1,4-dihydropyrimidin-6-yl]amino]-2-(trioxidanylsulfanyl)phenyl]hydrazinylidene]-4-oxidanylidene-6-phenylazanyl-naphthalene-2-sulfonic acid Openeye Name: (3E)-6-anilino-3-[[4-[(5-chloro-2,4-difluoro-1,4-dihydropyrimidin-6-yl)amino]-2-(trioxidanylsulfanyl)phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonic acid CAS Name: (3E)-6-anilino-3-[[4-[(5-chloro-2,4-difluoro-1,4-dihydropyrimidin-6-yl)amino]-2-(trioxidanylthio)phenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: (3E)-6-anilino-3-[[4-[(5-chloro-2,4-difluoro-1,4-dihydropyrimidin-6-yl)amino]-2-(trioxidanylsulfanyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid Traditional Name: (3E)-6-anilino-3-[[4-[(5-chloro-2,4-difluoro-1,4-dihydropyrimidin-6-yl)amino]-2-(trioxidanylthio)phenyl]hydrazono]-4-keto-naphthalene-2-sulfonic acid Formula: C26H19ClF2N6O7S2 MolecularWeight: 665.044866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC3=C(C=C2)C=C(C(=NNC4=C(C=C(C=C4)NC5=C(C(N=C(N5)F)F)Cl)SOOO)C3=O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC3=C(C=C2)C=C(/C(=N/NC4=C(C=C(C=C4)NC5=C(C(N=C(N5)F)F)Cl)SOOO)/C3=O)S(=O)(=O)O

InChI

InChI=1S/C26H19ClF2N6O7S2/c27-21-24(28)32-26(29)33-25(21)31-16-8-9-18(19(12-16)43-42-41-37)34-35-22-20(44(38,39)40)10-13-6-7-15(11-17(13)23(22)36)30-14-4-2-1-3-5-14/h1-12,24,30-31,34,37H,(H,32,33)(H,38,39,40)/b35-22-