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

Systemtic Name: N,N'-bis(6,7-dimethoxyquinazolin-4-yl)propane-1,3-diamine; methanesulfonic acid Openeye Name: N,N'-bis(6,7-dimethoxyquinazolin-4-yl)propane-1,3-diamine; methanesulfonic acid CAS Name: N,N'-bis(6,7-dimethoxy-4-quinazolinyl)propane-1,3-diamine; methanesulfonic acid IUPAC Name: N,N'-bis(6,7-dimethoxyquinazolin-4-yl)propane-1,3-diamine; methanesulfonic acid Traditional Name: (6,7-dimethoxyquinazolin-4-yl)-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]propyl]amine; mesylic acid Formula: C25H34N6O10S2 MolecularWeight: 642.70166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O4.2CH4O3S/c1-30-18-8-14-16(10-20(18)32-3)26-12-28-22(14)24-6-5-7-25-23-15-9-19(31-2)21(33-4)11-17(15)27-13-29-23;2*1-5(2,3)4/h8-13H,5-7H2,1-4H3,(H,24,26,28)(H,25,27,29);2*1H3,(H,2,3,4)