2,3-bis[(4-morpholin-4-yl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]benzenesulfonic acid

Systemtic Name: 2,3-bis[(4-morpholin-4-yl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Openeye Name: 2,3-bis[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino]benzenesulfonic acid CAS Name: 2,3-bis[[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid IUPAC Name: 2,3-bis[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Traditional Name: 2,3-bis[(4-anilino-6-morpholino-s-triazin-2-yl)amino]besylic acid Formula: C32H34N12O5S MolecularWeight: 698.75476

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)NC3=C(C(=CC=C3)S(=O)(=O)O)NC4=NC(=NC(=N4)NC5=CC=CC=C5)N6CCOCC6)NC7=CC=CC=C7

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)NC3=C(C(=CC=C3)S(=O)(=O)O)NC4=NC(=NC(=N4)NC5=CC=CC=C5)N6CCOCC6)NC7=CC=CC=C7

InChI

InChI=1S/C32H34N12O5S/c45-50(46,47)25-13-7-12-24(35-29-37-27(33-22-8-3-1-4-9-22)39-31(41-29)43-14-18-48-19-15-43)26(25)36-30-38-28(34-23-10-5-2-6-11-23)40-32(42-30)44-16-20-49-21-17-44/h1-13H,14-21H2,(H,45,46,47)(H2,33,35,37,39,41)(H2,34,36,38,40,42)