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

Systemtic Name: N4-(3,5-dimethylphenyl)-N6-hexadecyl-pyrimidine-4,5,6-triamine Openeye Name: N4-(3,5-dimethylphenyl)-N6-hexadecyl-pyrimidine-4,5,6-triamine CAS Name: N4-(3,5-dimethylphenyl)-N6-hexadecylpyrimidine-4,5,6-triamine IUPAC Name: 4-N-(3,5-dimethylphenyl)-6-N-hexadecylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(cetylamino)pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C28H47N5 MolecularWeight: 453.70628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H47N5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-27-26(29)28(32-22-31-27)33-25-20-23(2)19-24(3)21-25/h19-22H,4-18,29H2,1-3H3,(H2,30,31,32,33)