(3Z)-3-[[4-[[5-chloranyl-2-[ethyl(phenyl)amino]-4-fluoranyl-1,4-dihydropyrimidin-6-yl]amino]-2-oxidanyl-phenyl]hydrazinylidene]-5-(methoxymethylideneamino)-4-oxidanylidene-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: (3Z)-3-[[4-[[5-chloranyl-2-[ethyl(phenyl)amino]-4-fluoranyl-1,4-dihydropyrimidin-6-yl]amino]-2-oxidanyl-phenyl]hydrazinylidene]-5-(methoxymethylideneamino)-4-oxidanylidene-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: (3Z)-3-[[4-[[5-chloro-2-(N-ethylanilino)-4-fluoro-1,4-dihydropyrimidin-6-yl]amino]-2-hydroxy-phenyl]hydrazono]-5-(methoxymethyleneamino)-4-oxo-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: (3Z)-3-[[4-[[5-chloro-2-(N-ethylanilino)-4-fluoro-1,4-dihydropyrimidin-6-yl]amino]-2-hydroxyphenyl]hydrazinylidene]-5-(methoxymethylideneamino)-4-oxo-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: (3Z)-3-[[4-[[5-chloro-2-(N-ethylanilino)-4-fluoro-1,4-dihydropyrimidin-6-yl]amino]-2-hydroxyphenyl]hydrazinylidene]-5-(methoxymethylideneamino)-4-oxo-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: (3Z)-3-[[4-[[5-chloro-2-(N-ethylanilino)-4-fluoro-1,4-dihydropyrimidin-6-yl]amino]-2-hydroxy-phenyl]hydrazono]-4-keto-5-(methoxymethyleneamino)-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C30H27ClFN7O9S2 MolecularWeight: 748.158283

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=NC(C(=C(N2)NC3=CC(=C(C=C3)NN=C4C(=CC5=CC(=CC(=C5C4=O)N=COC)SOOO)S(=O)(=O)O)O)Cl)F

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC(C(=C(N2)NC3=CC(=C(C=C3)N/N=C/4\C(=CC5=CC(=CC(=C5C4=O)N=COC)SOOO)S(=O)(=O)O)O)Cl)F

InChI

InChI=1S/C30H27ClFN7O9S2/c1-3-39(18-7-5-4-6-8-18)30-35-28(32)25(31)29(36-30)34-17-9-10-20(22(40)13-17)37-38-26-23(50(43,44)45)12-16-11-19(49-48-47-42)14-21(33-15-46-2)24(16)27(26)41/h4-15,28,34,37,40,42H,3H2,1-2H3,(H,35,36)(H,43,44,45)/b33-15?,38-26+