4-[(4-fluoranyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[(4-fluoranyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[(4-fluoro-6-morpholino-1,3,5-triazin-2-yl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[[4-fluoro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[(4-fluoro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[(4-fluoro-6-morpholino-s-triazin-2-yl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C17H16FN5O8S2 MolecularWeight: 501.466043

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)F)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4O)S(=O)(=O)O

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)F)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4O)S(=O)(=O)O

InChI

InChI=1S/C17H16FN5O8S2/c18-15-20-16(22-17(21-15)23-1-3-31-4-2-23)19-12-7-10(32(25,26)27)5-9-6-11(33(28,29)30)8-13(24)14(9)12/h5-8,24H,1-4H2,(H,25,26,27)(H,28,29,30)(H,19,20,21,22)