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

Systemtic Name: N4-hexadecyl-5-nitro-N6-propyl-pyrimidine-4,6-diamine Openeye Name: N4-hexadecyl-5-nitro-N6-propyl-pyrimidine-4,6-diamine CAS Name: N4-hexadecyl-5-nitro-N6-propylpyrimidine-4,6-diamine IUPAC Name: 4-N-hexadecyl-5-nitro-6-N-propylpyrimidine-4,6-diamine Traditional Name: cetyl-[5-nitro-6-(propylamino)pyrimidin-4-yl]amine Formula: C23H43N5O2 MolecularWeight: 421.61982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H43N5O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25-23-21(28(29)30)22(24-18-4-2)26-20-27-23/h20H,3-19H2,1-2H3,(H2,24,25,26,27)