N,N'-bis(6,7,8-trimethoxyquinazolin-4-yl)ethane-1,2-diamine; methanesulfonic acid

Systemtic Name: N,N'-bis(6,7,8-trimethoxyquinazolin-4-yl)ethane-1,2-diamine; methanesulfonic acid Openeye Name: N,N'-bis(6,7,8-trimethoxyquinazolin-4-yl)ethane-1,2-diamine; methanesulfonic acid CAS Name: N,N'-bis(6,7,8-trimethoxy-4-quinazolinyl)ethane-1,2-diamine; methanesulfonic acid IUPAC Name: N,N'-bis(6,7,8-trimethoxyquinazolin-4-yl)ethane-1,2-diamine; methanesulfonic acid Traditional Name: mesylic acid; (6,7,8-trimethoxyquinazolin-4-yl)-[2-[(6,7,8-trimethoxyquinazolin-4-yl)amino]ethyl]amine Formula: C26H36N6O12S2 MolecularWeight: 688.72704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(=NC=N2)NCCNC3=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)NCCNC3=NC=NC4=C(C(=C(C=C43)OC)OC)OC)OC)OC.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C24H28N6O6.2CH4O3S/c1-31-15-9-13-17(21(35-5)19(15)33-3)27-11-29-23(13)25-7-8-26-24-14-10-16(32-2)20(34-4)22(36-6)18(14)28-12-30-24;2*1-5(2,3)4/h9-12H,7-8H2,1-6H3,(H,25,27,29)(H,26,28,30);2*1H3,(H,2,3,4)