N,N'-bis(6,7-dimethylquinazolin-4-yl)decane-1,10-diamine; methanesulfonic acid

Systemtic Name: N,N'-bis(6,7-dimethylquinazolin-4-yl)decane-1,10-diamine; methanesulfonic acid Openeye Name: N,N'-bis(6,7-dimethylquinazolin-4-yl)decane-1,10-diamine; methanesulfonic acid CAS Name: N,N'-bis(6,7-dimethyl-4-quinazolinyl)decane-1,10-diamine; methanesulfonic acid IUPAC Name: N,N'-bis(6,7-dimethylquinazolin-4-yl)decane-1,10-diamine; methanesulfonic acid Traditional Name: (6,7-dimethylquinazolin-4-yl)-[10-[(6,7-dimethylquinazolin-4-yl)amino]decyl]amine; mesylic acid Formula: C32H48N6O6S2 MolecularWeight: 676.89012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC=N2)NCCCCCCCCCCNC3=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)NCCCCCCCCCCNC3=NC=NC4=CC(=C(C=C43)C)C)C.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C30H40N6.2CH4O3S/c1-21-15-25-27(17-23(21)3)33-19-35-29(25)31-13-11-9-7-5-6-8-10-12-14-32-30-26-16-22(2)24(4)18-28(26)34-20-36-30;2*1-5(2,3)4/h15-20H,5-14H2,1-4H3,(H,31,33,35)(H,32,34,36);2*1H3,(H,2,3,4)