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

Systemtic Name: N4-ethyl-N6-hexadecyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N6-hexadecyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N4-ethyl-N6-hexadecyl-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-6-N-hexadecyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: [6-(cetylamino)-5-nitro-pyrimidin-4-yl]-ethyl-phenyl-amine Formula: C28H45N5O2 MolecularWeight: 483.6892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)N(CC)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)N(CC)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C28H45N5O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-27-26(33(34)35)28(31-24-30-27)32(4-2)25-21-18-17-19-22-25/h17-19,21-22,24H,3-16,20,23H2,1-2H3,(H,29,30,31)