(3Z)-3-[[5-[[2-[bis(2-hydroxyethyl)amino]-5-chloranyl-6-fluoranyl-pyrimidin-4-yl]amino]-2-(trioxidanylsulfanyl)phenyl]hydrazinylidene]-4-oxidanylidene-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: (3Z)-3-[[5-[[2-[bis(2-hydroxyethyl)amino]-5-chloranyl-6-fluoranyl-pyrimidin-4-yl]amino]-2-(trioxidanylsulfanyl)phenyl]hydrazinylidene]-4-oxidanylidene-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: (3Z)-3-[[5-[[2-[bis(2-hydroxyethyl)amino]-5-chloro-6-fluoro-pyrimidin-4-yl]amino]-2-(trioxidanylsulfanyl)phenyl]hydrazono]-4-oxo-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: (3Z)-3-[[5-[[2-[bis(2-hydroxyethyl)amino]-5-chloro-6-fluoro-4-pyrimidinyl]amino]-2-(trioxidanylthio)phenyl]hydrazinylidene]-4-oxo-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: (3Z)-3-[[5-[[2-[bis(2-hydroxyethyl)amino]-5-chloro-6-fluoropyrimidin-4-yl]amino]-2-(trioxidanylsulfanyl)phenyl]hydrazinylidene]-4-oxo-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: (3Z)-3-[[5-[[2-[bis(2-hydroxyethyl)amino]-5-chloro-6-fluoro-pyrimidin-4-yl]amino]-2-(trioxidanylthio)phenyl]hydrazono]-4-keto-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C24H22ClFN6O12S3 MolecularWeight: 737.110883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C(=NC(=N2)N(CCO)CCO)F)Cl)NN=C3C(=CC4=C(C3=O)C=CC(=C4)SOOO)S(=O)(=O)O)SOOO

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C(=NC(=N2)N(CCO)CCO)F)Cl)N/N=C/3\C(=CC4=C(C3=O)C=CC(=C4)SOOO)S(=O)(=O)O)SOOO

InChI

InChI=1S/C24H22ClFN6O12S3/c25-19-22(26)28-24(32(5-7-33)6-8-34)29-23(19)27-13-1-4-17(46-44-42-37)16(11-13)30-31-20-18(47(38,39)40)10-12-9-14(45-43-41-36)2-3-15(12)21(20)35/h1-4,9-11,30,33-34,36-37H,5-8H2,(H,27,28,29)(H,38,39,40)/b31-20+