6-(3,5-dimethylphenoxy)-N4-hexadecyl-pyrimidine-4,5-diamine

Systemtic Name: 6-(3,5-dimethylphenoxy)-N4-hexadecyl-pyrimidine-4,5-diamine Openeye Name: 6-(3,5-dimethylphenoxy)-N4-hexadecyl-pyrimidine-4,5-diamine CAS Name: 6-(3,5-dimethylphenoxy)-N4-hexadecylpyrimidine-4,5-diamine IUPAC Name: 6-(3,5-dimethylphenoxy)-4-N-hexadecylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-cetyl-amine Formula: C28H46N4O MolecularWeight: 454.69104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)OC2=CC(=CC(=C2)C)C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)OC2=CC(=CC(=C2)C)C)N

InChI

InChI=1S/C28H46N4O/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,(H,30,31,32)