3-azanyl-5-[6-(methylamino)-4-phenylazanyl-2H-1,3,5-triazin-1-yl]-2-[(E)-2-[4-[6-(methylamino)-4-phenylazanyl-2H-1,3,5-triazin-1-yl]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid

Systemtic Name: 3-azanyl-5-[6-(methylamino)-4-phenylazanyl-2H-1,3,5-triazin-1-yl]-2-[(E)-2-[4-[6-(methylamino)-4-phenylazanyl-2H-1,3,5-triazin-1-yl]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 3-amino-5-[4-anilino-6-(methylamino)-2H-1,3,5-triazin-1-yl]-2-[(E)-2-[4-[4-anilino-6-(methylamino)-2H-1,3,5-triazin-1-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 3-amino-5-[4-anilino-6-(methylamino)-2H-1,3,5-triazin-1-yl]-2-[(E)-2-[4-[4-anilino-6-(methylamino)-2H-1,3,5-triazin-1-yl]-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 3-amino-5-[4-anilino-6-(methylamino)-2H-1,3,5-triazin-1-yl]-2-[(E)-2-[4-[4-anilino-6-(methylamino)-2H-1,3,5-triazin-1-yl]-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 3-amino-5-[4-anilino-6-(methylamino)-2H-s-triazin-1-yl]-2-[(E)-2-[4-[4-anilino-6-(methylamino)-2H-s-triazin-1-yl]-2-sulfo-phenyl]vinyl]besylic acid Formula: C34H35N11O6S2 MolecularWeight: 757.8418

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NCN1C2=CC(=C(C=C2)C=CC3=C(C=C(C=C3S(=O)(=O)O)N4CN=C(N=C4NC)NC5=CC=CC=C5)N)S(=O)(=O)O)NC6=CC=CC=C6

Isomeric SMILES

CNC1=NC(=NCN1C2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3S(=O)(=O)O)N4CN=C(N=C4NC)NC5=CC=CC=C5)N)S(=O)(=O)O)NC6=CC=CC=C6

InChI

InChI=1S/C34H35N11O6S2/c1-36-33-42-31(40-23-9-5-3-6-10-23)38-20-44(33)25-15-13-22(29(18-25)52(46,47)48)14-16-27-28(35)17-26(19-30(27)53(49,50)51)45-21-39-32(43-34(45)37-2)41-24-11-7-4-8-12-24/h3-19H,20-21,35H2,1-2H3,(H,46,47,48)(H,49,50,51)(H2,36,38,40,42)(H2,37,39,41,43)/b16-14+