N6-butyl-N4-hexadecyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-N4-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C24H45N5O2 MolecularWeight: 435.6464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCCC

InChI

InChI=1S/C24H45N5O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-26-24-22(29(30)31)23(27-21-28-24)25-19-6-4-2/h21H,3-20H2,1-2H3,(H2,25,26,27,28)