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

Systemtic Name: N6-ethyl-N4-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-ethyl-N4-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-ethyl-N4-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-ethyl-4-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-(ethylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C22H41N5O2 MolecularWeight: 407.59324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H41N5O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-22-20(27(28)29)21(23-4-2)25-19-26-22/h19H,3-18H2,1-2H3,(H2,23,24,25,26)