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

Systemtic Name: 5-[[4-[(4-methoxyphenyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[(4-methoxyphenyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 5-[[4-(4-methoxyanilino)-6-morpholino-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(4-methoxyanilino)-6-morpholino-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 5-[[4-(4-methoxyanilino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(4-methoxyanilino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 5-[[4-morpholino-6-(p-anisidino)-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-morpholino-6-(p-anisidino)-s-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]besylic acid Formula: C42H44N12O10S2 MolecularWeight: 941.00316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)NC4=CC(=C(C=C4)C=CC5=C(C=C(C=C5)NC6=NC(=NC(=N6)NC7=CC=C(C=C7)OC)N8CCOCC8)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCOCC3)NC4=CC(=C(C=C4)/C=C/C5=C(C=C(C=C5)NC6=NC(=NC(=N6)NC7=CC=C(C=C7)OC)N8CCOCC8)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C42H44N12O10S2/c1-61-33-13-9-29(10-14-33)43-37-47-39(51-41(49-37)53-17-21-63-22-18-53)45-31-7-5-27(35(25-31)65(55,56)57)3-4-28-6-8-32(26-36(28)66(58,59)60)46-40-48-38(44-30-11-15-34(62-2)16-12-30)50-42(52-40)54-19-23-64-24-20-54/h3-16,25-26H,17-24H2,1-2H3,(H,55,56,57)(H,58,59,60)(H2,43,45,47,49,51)(H2,44,46,48,50,52)/b4-3+