N4-ethyl-N6-hexadecyl-N4-phenyl-pyrimidine-4,5,6-triamine

Systemtic Name: N4-ethyl-N6-hexadecyl-N4-phenyl-pyrimidine-4,5,6-triamine Openeye Name: N4-ethyl-N6-hexadecyl-N4-phenyl-pyrimidine-4,5,6-triamine CAS Name: N4-ethyl-N6-hexadecyl-N4-phenylpyrimidine-4,5,6-triamine IUPAC Name: 4-N-ethyl-6-N-hexadecyl-4-N-phenylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(cetylamino)pyrimidin-4-yl]-ethyl-phenyl-amine Formula: C28H47N5 MolecularWeight: 453.70628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H47N5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30-27-26(29)28(32-24-31-27)33(4-2)25-21-18-17-19-22-25/h17-19,21-22,24H,3-16,20,23,29H2,1-2H3,(H,30,31,32)