5-[[4-[2,3-bis(oxidanyl)propylamino]-6-(1-oxidanylpropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2,3-bis(oxidanyl)propylamino]-6-(1-oxidanylpropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid

Systemtic Name: 5-[[4-[2,3-bis(oxidanyl)propylamino]-6-(1-oxidanylpropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[2,3-bis(oxidanyl)propylamino]-6-(1-oxidanylpropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 5-[[4-(2,3-dihydroxypropylamino)-6-[(2-hydroxy-1-methyl-ethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2,3-dihydroxypropylamino)-6-[(2-hydroxy-1-methyl-ethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 5-[[4-(2,3-dihydroxypropylamino)-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2,3-dihydroxypropylamino)-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-[[4-(2,3-dihydroxypropylamino)-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2,3-dihydroxypropylamino)-6-(1-hydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 5-[[4-(glycerylamino)-6-[(2-hydroxy-1-methyl-ethyl)amino]-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(glycerylamino)-6-[(2-hydroxy-1-methyl-ethyl)amino]-s-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]besylic acid Formula: C32H44N12O12S2 MolecularWeight: 852.89496

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=NC(=NC(=N1)NCC(CO)O)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC(C)CO)NCC(CO)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(CO)NC1=NC(=NC(=N1)NCC(CO)O)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC(C)CO)NCC(CO)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C32H44N12O12S2/c1-17(13-45)35-29-39-27(33-11-23(49)15-47)41-31(43-29)37-21-7-5-19(25(9-21)57(51,52)53)3-4-20-6-8-22(10-26(20)58(54,55)56)38-32-42-28(34-12-24(50)16-48)40-30(44-32)36-18(2)14-46/h3-10,17-18,23-24,45-50H,11-16H2,1-2H3,(H,51,52,53)(H,54,55,56)(H3,33,35,37,39,41,43)(H3,34,36,38,40,42,44)/b4-3+