N4-(4-ethylphenyl)-N6-hexadecyl-pyrimidine-4,5,6-triamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1N)NC2=CC=C(C=C2)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1N)NC2=CC=C(C=C2)CC

InChI

InChI=1S/C28H47N5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-27-26(29)28(32-23-31-27)33-25-20-18-24(4-2)19-21-25/h18-21,23H,3-17,22,29H2,1-2H3,(H2,30,31,32,33)