N4-butan-2-yl-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-butan-2-yl-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-5-nitro-N4-sec-butyl-pyrimidine-4,6-diamine CAS Name: N4-butan-2-yl-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butan-2-yl-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amine Formula: C24H45N5O2 MolecularWeight: 435.6464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H45N5O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-23-22(29(30)31)24(27-20-26-23)28-21(3)5-2/h20-21H,4-19H2,1-3H3,(H2,25,26,27,28)