N6-hexadecyl-N4-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-hexadecyl-N4-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-N4-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-N4-[3-(1-imidazolyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-4-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C26H45N7O2 MolecularWeight: 487.6812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NCCCN2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NCCCN2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C26H45N7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-28-25-24(33(34)35)26(31-22-30-25)29-18-16-20-32-21-19-27-23-32/h19,21-23H,2-18,20H2,1H3,(H2,28,29,30,31)