5-[[4-[2-(2-hydroxyethyloxy)ethylamino]-6-[2-(hydroxymethyl)butylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-(2-hydroxyethyloxy)ethylamino]-6-[2-(hydroxymethyl)butylamino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid

Systemtic Name: 5-[[4-[2-(2-hydroxyethyloxy)ethylamino]-6-[2-(hydroxymethyl)butylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-(2-hydroxyethyloxy)ethylamino]-6-[2-(hydroxymethyl)butylamino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 5-[[4-[2-(2-hydroxyethoxy)ethylamino]-6-[2-(hydroxymethyl)butylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-(2-hydroxyethoxy)ethylamino]-6-[2-(hydroxymethyl)butylamino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 5-[[4-[2-(2-hydroxyethoxy)ethylamino]-6-[2-(hydroxymethyl)butylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-(2-hydroxyethoxy)ethylamino]-6-[2-(hydroxymethyl)butylamino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-[[4-[2-(2-hydroxyethoxy)ethylamino]-6-[2-(hydroxymethyl)butylamino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-(2-hydroxyethoxy)ethylamino]-6-[2-(hydroxymethyl)butylamino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 5-[[4-[2-(2-hydroxyethoxy)ethylamino]-6-(2-methylolbutylamino)-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2-(2-hydroxyethoxy)ethylamino]-6-(2-methylolbutylamino)-s-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]besylic acid Formula: C38H56N12O12S2 MolecularWeight: 937.05444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H56N12O12S2/c1-3-25(23-53)21-41-35-45-33(39-11-15-61-17-13-51)47-37(49-35)43-29-9-7-27(31(19-29)63(55,56)57)5-6-28-8-10-30(20-32(28)64(58,59)60)44-38-48-34(40-12-16-62-18-14-52)46-36(50-38)42-22-26(4-2)24-54/h5-10,19-20,25-26,51-54H,3-4,11-18,21-24H2,1-2H3,(H,55,56,57)(H,58,59,60)(H3,39,41,43,45,47,49)(H3,40,42,44,46,48,50)/b6-5+