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

Systemtic Name: N,N'-bis(6-chloranylquinazolin-4-yl)decane-1,10-diamine; methanesulfonic acid Openeye Name: N,N'-bis(6-chloroquinazolin-4-yl)decane-1,10-diamine; methanesulfonic acid CAS Name: N,N'-bis(6-chloro-4-quinazolinyl)decane-1,10-diamine; methanesulfonic acid IUPAC Name: N,N'-bis(6-chloroquinazolin-4-yl)decane-1,10-diamine; methanesulfonic acid Traditional Name: (6-chloroquinazolin-4-yl)-[10-[(6-chloroquinazolin-4-yl)amino]decyl]amine; mesylic acid Formula: C28H38Cl2N6O6S2 MolecularWeight: 689.67392

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC2=C(C=C1Cl)C(=NC=N2)NCCCCCCCCCCNC3=NC=NC4=C3C=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC2=C(C=C1Cl)C(=NC=N2)NCCCCCCCCCCNC3=NC=NC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C26H30Cl2N6.2CH4O3S/c27-19-9-11-23-21(15-19)25(33-17-31-23)29-13-7-5-3-1-2-4-6-8-14-30-26-22-16-20(28)10-12-24(22)32-18-34-26;2*1-5(2,3)4/h9-12,15-18H,1-8,13-14H2,(H,29,31,33)(H,30,32,34);2*1H3,(H,2,3,4)