N,N'-bis(6,7,8-trimethoxyquinazolin-4-yl)propane-1,3-diamine; methanesulfonic acid

Systemtic Name: N,N'-bis(6,7,8-trimethoxyquinazolin-4-yl)propane-1,3-diamine; methanesulfonic acid Openeye Name: N,N'-bis(6,7,8-trimethoxyquinazolin-4-yl)propane-1,3-diamine; methanesulfonic acid CAS Name: N,N'-bis(6,7,8-trimethoxy-4-quinazolinyl)propane-1,3-diamine; methanesulfonic acid IUPAC Name: N,N'-bis(6,7,8-trimethoxyquinazolin-4-yl)propane-1,3-diamine; methanesulfonic acid Traditional Name: mesylic acid; (6,7,8-trimethoxyquinazolin-4-yl)-[3-[(6,7,8-trimethoxyquinazolin-4-yl)amino]propyl]amine Formula: C27H38N6O12S2 MolecularWeight: 702.75362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(=NC=N2)NCCCNC3=NC=NC4=C(C(=C(C=C43)OC)OC)OC)OC)OC.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

COC1=C(C(=C2C(=C1)C(=NC=N2)NCCCNC3=NC=NC4=C(C(=C(C=C43)OC)OC)OC)OC)OC.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C25H30N6O6.2CH4O3S/c1-32-16-10-14-18(22(36-5)20(16)34-3)28-12-30-24(14)26-8-7-9-27-25-15-11-17(33-2)21(35-4)23(37-6)19(15)29-13-31-25;2*1-5(2,3)4/h10-13H,7-9H2,1-6H3,(H,26,28,30)(H,27,29,31);2*1H3,(H,2,3,4)