N,N'-bis(6,7-dimethylquinazolin-4-yl)octane-1,8-diamine; methanesulfonic acid

Systemtic Name: N,N'-bis(6,7-dimethylquinazolin-4-yl)octane-1,8-diamine; methanesulfonic acid Openeye Name: N,N'-bis(6,7-dimethylquinazolin-4-yl)octane-1,8-diamine; methanesulfonic acid CAS Name: N,N'-bis(6,7-dimethyl-4-quinazolinyl)octane-1,8-diamine; methanesulfonic acid IUPAC Name: N,N'-bis(6,7-dimethylquinazolin-4-yl)octane-1,8-diamine; methanesulfonic acid Traditional Name: (6,7-dimethylquinazolin-4-yl)-[8-[(6,7-dimethylquinazolin-4-yl)amino]octyl]amine; mesylic acid Formula: C30H44N6O6S2 MolecularWeight: 648.83696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC=N2)NCCCCCCCCNC3=NC=NC4=CC(=C(C=C43)C)C)C.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC=N2)NCCCCCCCCNC3=NC=NC4=CC(=C(C=C43)C)C)C.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C28H36N6.2CH4O3S/c1-19-13-23-25(15-21(19)3)31-17-33-27(23)29-11-9-7-5-6-8-10-12-30-28-24-14-20(2)22(4)16-26(24)32-18-34-28;2*1-5(2,3)4/h13-18H,5-12H2,1-4H3,(H,29,31,33)(H,30,32,34);2*1H3,(H,2,3,4)