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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)N(C)CC2=CC=CC=C2)N

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)N(C)CC2=CC=CC=C2)N

InChI

InChI=1S/C28H47N5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-30-27-26(29)28(32-24-31-27)33(2)23-25-20-17-16-18-21-25/h16-18,20-21,24H,3-15,19,22-23,29H2,1-2H3,(H,30,31,32)