(3Z)-5-[(5-chloranyl-2-fluoranyl-6-methyl-pyrimidin-4-yl)amino]-3-[(4-methyl-2-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid

Systemtic Name: (3Z)-5-[(5-chloranyl-2-fluoranyl-6-methyl-pyrimidin-4-yl)amino]-3-[(4-methyl-2-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid Openeye Name: (3Z)-5-[(5-chloro-2-fluoro-6-methyl-pyrimidin-4-yl)amino]-3-[(4-methyl-2-sulfo-phenyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid CAS Name: (3Z)-5-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]-3-[(4-methyl-2-sulfophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid IUPAC Name: (3Z)-5-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-3-[(4-methyl-2-sulfophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid Traditional Name: (3Z)-5-[(5-chloro-2-fluoro-6-methyl-pyrimidin-4-yl)amino]-4-keto-3-[(4-methyl-2-sulfo-phenyl)hydrazono]naphthalene-2,7-disulfonic acid Formula: C22H17ClFN5O10S3 MolecularWeight: 662.044283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)NC4=NC(=NC(=C4Cl)C)F)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)NC4=NC(=NC(=C4Cl)C)F)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H17ClFN5O10S3/c1-9-3-4-13(15(5-9)41(34,35)36)28-29-19-16(42(37,38)39)7-11-6-12(40(31,32)33)8-14(17(11)20(19)30)26-21-18(23)10(2)25-22(24)27-21/h3-8,28H,1-2H3,(H,25,26,27)(H,31,32,33)(H,34,35,36)(H,37,38,39)/b29-19+