5-[[4-methoxy-6-(2-oxidanylpropylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-methoxy-6-(2-oxidanylpropylamino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid

Systemtic Name: 5-[[4-methoxy-6-(2-oxidanylpropylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-methoxy-6-(2-oxidanylpropylamino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 5-[[4-(2-hydroxypropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxypropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 5-[[4-(2-hydroxypropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxypropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-[[4-(2-hydroxypropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxypropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 5-[[4-(2-hydroxypropylamino)-6-methoxy-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxypropylamino)-6-methoxy-s-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]besylic acid Formula: C28H34N10O10S2 MolecularWeight: 734.76056

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC(=NC(=N1)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)OC)NCC(C)O)S(=O)(=O)O)S(=O)(=O)O)OC)O

Isomeric SMILES

CC(CNC1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)OC)NCC(C)O)S(=O)(=O)O)S(=O)(=O)O)OC)O

InChI

InChI=1S/C28H34N10O10S2/c1-15(39)13-29-23-33-25(37-27(35-23)47-3)31-19-9-7-17(21(11-19)49(41,42)43)5-6-18-8-10-20(12-22(18)50(44,45)46)32-26-34-24(30-14-16(2)40)36-28(38-26)48-4/h5-12,15-16,39-40H,13-14H2,1-4H3,(H,41,42,43)(H,44,45,46)(H2,29,31,33,35,37)(H2,30,32,34,36,38)/b6-5+