N,N'-bis(6,7-dimethylquinazolin-4-yl)nonane-1,9-diamine; methanesulfonic acid

Systemtic Name: N,N'-bis(6,7-dimethylquinazolin-4-yl)nonane-1,9-diamine; methanesulfonic acid Openeye Name: N,N'-bis(6,7-dimethylquinazolin-4-yl)nonane-1,9-diamine; methanesulfonic acid CAS Name: N,N'-bis(6,7-dimethyl-4-quinazolinyl)nonane-1,9-diamine; methanesulfonic acid IUPAC Name: N,N'-bis(6,7-dimethylquinazolin-4-yl)nonane-1,9-diamine; methanesulfonic acid Traditional Name: (6,7-dimethylquinazolin-4-yl)-[9-[(6,7-dimethylquinazolin-4-yl)amino]nonyl]amine; mesylic acid Formula: C31H46N6O6S2 MolecularWeight: 662.86354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC=N2)NCCCCCCCCCNC3=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)NCCCCCCCCCNC3=NC=NC4=CC(=C(C=C43)C)C)C.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C29H38N6.2CH4O3S/c1-20-14-24-26(16-22(20)3)32-18-34-28(24)30-12-10-8-6-5-7-9-11-13-31-29-25-15-21(2)23(4)17-27(25)33-19-35-29;2*1-5(2,3)4/h14-19H,5-13H2,1-4H3,(H,30,32,34)(H,31,33,35);2*1H3,(H,2,3,4)