4,4-dimethyl-N6-nonyl-N2-(phenylmethyl)-1H-1,3,5-triazine-2,6-diamine; ethanoic acid

Systemtic Name: 4,4-dimethyl-N6-nonyl-N2-(phenylmethyl)-1H-1,3,5-triazine-2,6-diamine; ethanoic acid Openeye Name: acetic acid; N2-benzyl-4,4-dimethyl-N6-nonyl-1H-1,3,5-triazine-2,6-diamine CAS Name: acetic acid; 4,4-dimethyl-N6-nonyl-N2-(phenylmethyl)-1H-1,3,5-triazine-2,6-diamine IUPAC Name: acetic acid; 2-N-benzyl-4,4-dimethyl-6-N-nonyl-1H-1,3,5-triazine-2,6-diamine Traditional Name: acetic acid; benzyl-[4,4-dimethyl-6-(nonylamino)-1H-s-triazin-2-yl]amine Formula: C23H39N5O2 MolecularWeight: 417.58806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCNC1=NC(N=C(N1)NCC2=CC=CC=C2)(C)C.CC(=O)O

Isomeric SMILES

CCCCCCCCCNC1=NC(N=C(N1)NCC2=CC=CC=C2)(C)C.CC(=O)O

InChI

InChI=1S/C21H35N5.C2H4O2/c1-4-5-6-7-8-9-13-16-22-19-24-20(26-21(2,3)25-19)23-17-18-14-11-10-12-15-18;1-2(3)4/h10-12,14-15H,4-9,13,16-17H2,1-3H3,(H3,22,23,24,25,26);1H3,(H,3,4)