N4-ethyl-N6-hexadecyl-N4-(3-methylphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-ethyl-N6-hexadecyl-N4-(3-methylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N4-ethyl-N6-hexadecyl-N4-(m-tolyl)pyrimidine-4,5,6-triamine CAS Name: N4-ethyl-N6-hexadecyl-N4-(3-methylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-ethyl-6-N-hexadecyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(cetylamino)pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C29H49N5 MolecularWeight: 467.73286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)N(CC)C2=CC=CC(=C2)C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)N(CC)C2=CC=CC(=C2)C)N

InChI

InChI=1S/C29H49N5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31-28-27(30)29(33-24-32-28)34(5-2)26-21-19-20-25(3)23-26/h19-21,23-24H,4-18,22,30H2,1-3H3,(H,31,32,33)