N6-decyl-4,4-dimethyl-N2-(phenylmethyl)-1H-1,3,5-triazine-2,6-diamine; methanesulfonate

Systemtic Name: N6-decyl-4,4-dimethyl-N2-(phenylmethyl)-1H-1,3,5-triazine-2,6-diamine; methanesulfonate Openeye Name: N2-benzyl-N6-decyl-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine; methanesulfonate CAS Name: N6-decyl-4,4-dimethyl-N2-(phenylmethyl)-1H-1,3,5-triazine-2,6-diamine; methanesulfonate IUPAC Name: 2-N-benzyl-6-N-decyl-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine; methanesulfonate Traditional Name: benzyl-[6-(decylamino)-4,4-dimethyl-1H-s-triazin-2-yl]amine mesylate Formula: C23H40N5O3S- MolecularWeight: 466.6604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC1=NC(N=C(N1)NCC2=CC=CC=C2)(C)C.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCNC1=NC(N=C(N1)NCC2=CC=CC=C2)(C)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C22H37N5.CH4O3S/c1-4-5-6-7-8-9-10-14-17-23-20-25-21(27-22(2,3)26-20)24-18-19-15-12-11-13-16-19;1-5(2,3)4/h11-13,15-16H,4-10,14,17-18H2,1-3H3,(H3,23,24,25,26,27);1H3,(H,2,3,4)/p-1