4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-1,3,5-triazin-2-amine phosphate

Systemtic Name: 4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-1,3,5-triazin-2-amine phosphate Openeye Name: 4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-1,3,5-triazin-2-amine phosphate CAS Name: 4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-1,3,5-triazin-2-amine phosphate IUPAC Name: 4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-1,3,5-triazin-2-amine phosphate Traditional Name: [4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-s-triazin-2-yl]-phenethyl-amine phosphate Formula: C33H38N6O8P-3 MolecularWeight: 677.663981

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=NC(=NC(=N3)NCCC4=CC=CC=C4)N5CCC6=CC(=C(C=C6C5)OC)OC)OC.[O-]P(=O)([O-])[O-]

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=NC(=NC(=N3)NCCC4=CC=CC=C4)N5CCC6=CC(=C(C=C6C5)OC)OC)OC.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C33H38N6O4.H3O4P/c1-40-27-16-23-11-14-38(20-25(23)18-29(27)42-3)32-35-31(34-13-10-22-8-6-5-7-9-22)36-33(37-32)39-15-12-24-17-28(41-2)30(43-4)19-26(24)21-39;1-5(2,3)4/h5-9,16-19H,10-15,20-21H2,1-4H3,(H,34,35,36,37);(H3,1,2,3,4)/p-3