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

Systemtic Name: N4-butyl-N6-hexadecyl-N4-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-butyl-N6-hexadecyl-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-butyl-N6-hexadecyl-N4-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-6-N-hexadecyl-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(cetylamino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C25H47N5O2 MolecularWeight: 449.67298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)N(C)CCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)N(C)CCCC)[N+](=O)[O-]

InChI

InChI=1S/C25H47N5O2/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-26-24-23(30(31)32)25(28-22-27-24)29(3)21-7-5-2/h22H,4-21H2,1-3H3,(H,26,27,28)