N6-[[3-[(3-azanyl-2-methyl-4H-1,4-benzoxazin-6-yl)methyl-methyl-amino]cyclohexyl]methyl]-N6,2-dimethyl-2H-1,4-benzoxazine-3,6-diamine trihydrochloride

Systemtic Name: N6-[[3-[(3-azanyl-2-methyl-4H-1,4-benzoxazin-6-yl)methyl-methyl-amino]cyclohexyl]methyl]-N6,2-dimethyl-2H-1,4-benzoxazine-3,6-diamine trihydrochloride Openeye Name: N6-[[3-[(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)methyl-methyl-amino]cyclohexyl]methyl]-N6,2-dimethyl-2H-1,4-benzoxazine-3,6-diamine trihydrochloride CAS Name: N6-[[3-[(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)methyl-methylamino]cyclohexyl]methyl]-N6,2-dimethyl-2H-1,4-benzoxazine-3,6-diamine trihydrochloride IUPAC Name: 6-N-[[3-[(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)methyl-methylamino]cyclohexyl]methyl]-6-N,2-dimethyl-2H-1,4-benzoxazine-3,6-diamine trihydrochloride Traditional Name: (3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)-[[3-[(3-amino-2-methyl-4H-1,4-benzoxazin-6-yl)methyl-methyl-amino]cyclohexyl]methyl]-methyl-amine trihydrochloride Formula: C28H41Cl3N6O2 MolecularWeight: 600.02314

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NC2=C(O1)C=CC(=C2)N(C)CC3CCCC(C3)N(C)CC4=CC5=C(C=C4)OC(=C(N5)N)C)N.Cl.Cl.Cl

Isomeric SMILES

CC1C(=NC2=C(O1)C=CC(=C2)N(C)CC3CCCC(C3)N(C)CC4=CC5=C(C=C4)OC(=C(N5)N)C)N.Cl.Cl.Cl

InChI

InChI=1S/C28H38N6O2.3ClH/c1-17-27(29)31-23-13-20(8-10-25(23)35-17)16-33(3)21-7-5-6-19(12-21)15-34(4)22-9-11-26-24(14-22)32-28(30)18(2)36-26;;;/h8-11,13-14,18-19,21,31H,5-7,12,15-16,29H2,1-4H3,(H2,30,32);3*1H