(3Z)-6-[(4-fluoranyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-oxidanylidene-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonic acid

Systemtic Name: (3Z)-6-[(4-fluoranyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-oxidanylidene-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonic acid Openeye Name: (3Z)-6-[(4-fluoro-6-morpholino-1,3,5-triazin-2-yl)amino]-4-oxo-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazono]naphthalene-2-sulfonic acid CAS Name: (3Z)-6-[[4-fluoro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-2-naphthalenesulfonic acid IUPAC Name: (3Z)-6-[(4-fluoro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-oxo-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonic acid Traditional Name: (3Z)-6-[(4-fluoro-6-morpholino-s-triazin-2-yl)amino]-4-keto-3-[[4-(2-sulfoxyethylsulfonyl)phenyl]hydrazono]naphthalene-2-sulfonic acid Formula: C25H24FN7O11S3 MolecularWeight: 713.691763

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)F)NC3=CC4=C(C=C3)C=C(C(=NNC5=CC=C(C=C5)S(=O)(=O)CCOS(=O)(=O)O)C4=O)S(=O)(=O)O

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)F)NC3=CC4=C(C=C3)C=C(/C(=N\NC5=CC=C(C=C5)S(=O)(=O)CCOS(=O)(=O)O)/C4=O)S(=O)(=O)O

InChI

InChI=1S/C25H24FN7O11S3/c26-23-28-24(30-25(29-23)33-7-9-43-10-8-33)27-17-2-1-15-13-20(46(37,38)39)21(22(34)19(15)14-17)32-31-16-3-5-18(6-4-16)45(35,36)12-11-44-47(40,41)42/h1-6,13-14,31H,7-12H2,(H,37,38,39)(H,40,41,42)(H,27,28,29,30)/b32-21+