(6E)-4-[(5-chloranyl-2-fluoranyl-6-methyl-pyrimidin-4-yl)amino]-5-oxidanylidene-6-[(2-sulfophenyl)hydrazinylidene]-7-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid

Systemtic Name: (6E)-4-[(5-chloranyl-2-fluoranyl-6-methyl-pyrimidin-4-yl)amino]-5-oxidanylidene-6-[(2-sulfophenyl)hydrazinylidene]-7-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Openeye Name: (6E)-4-[(5-chloro-2-fluoro-6-methyl-pyrimidin-4-yl)amino]-5-oxo-6-[(2-sulfophenyl)hydrazono]-7-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid CAS Name: (6E)-4-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]-5-oxo-6-[(2-sulfophenyl)hydrazinylidene]-7-(trioxidanylthio)-1-naphthalenesulfonic acid IUPAC Name: (6E)-4-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-5-oxo-6-[(2-sulfophenyl)hydrazinylidene]-7-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Traditional Name: (6E)-4-[(5-chloro-2-fluoro-6-methyl-pyrimidin-4-yl)amino]-5-keto-6-[(2-sulfophenyl)hydrazono]-7-(trioxidanylthio)naphthalene-1-sulfonic acid Formula: C21H15ClFN5O10S3 MolecularWeight: 648.017703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)F)NC2=C3C(=C(C=C2)S(=O)(=O)O)C=C(C(=NNC4=CC=CC=C4S(=O)(=O)O)C3=O)SOOO)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)F)NC2=C3C(=C(C=C2)S(=O)(=O)O)C=C(/C(=N/NC4=CC=CC=C4S(=O)(=O)O)/C3=O)SOOO)Cl

InChI

InChI=1S/C21H15ClFN5O10S3/c1-9-17(22)20(26-21(23)24-9)25-12-6-7-14(40(31,32)33)10-8-13(39-38-37-30)18(19(29)16(10)12)28-27-11-4-2-3-5-15(11)41(34,35)36/h2-8,27,30H,1H3,(H,24,25,26)(H,31,32,33)(H,34,35,36)/b28-18-