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

Systemtic Name: 4,4-dimethyl-N6-octyl-N2-(phenylmethyl)-1H-1,3,5-triazine-2,6-diamine; ethanoic acid Openeye Name: acetic acid; N2-benzyl-4,4-dimethyl-N6-octyl-1H-1,3,5-triazine-2,6-diamine CAS Name: acetic acid; 4,4-dimethyl-N6-octyl-N2-(phenylmethyl)-1H-1,3,5-triazine-2,6-diamine IUPAC Name: acetic acid; 2-N-benzyl-4,4-dimethyl-6-N-octyl-1H-1,3,5-triazine-2,6-diamine Traditional Name: acetic acid; benzyl-[4,4-dimethyl-6-(octylamino)-1H-s-triazin-2-yl]amine Formula: C22H37N5O2 MolecularWeight: 403.56148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=NC(N=C(N1)NCC2=CC=CC=C2)(C)C.CC(=O)O

Isomeric SMILES

CCCCCCCCNC1=NC(N=C(N1)NCC2=CC=CC=C2)(C)C.CC(=O)O

InChI

InChI=1S/C20H33N5.C2H4O2/c1-4-5-6-7-8-12-15-21-18-23-19(25-20(2,3)24-18)22-16-17-13-10-9-11-14-17;1-2(3)4/h9-11,13-14H,4-8,12,15-16H2,1-3H3,(H3,21,22,23,24,25);1H3,(H,3,4)