N-hexadecyl-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-hexadecyl-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine Openeye Name: N-hexadecyl-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine CAS Name: N-hexadecyl-6-(1-imidazolyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-hexadecyl-6-imidazol-1-yl-5-nitropyrimidin-4-amine Traditional Name: cetyl-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amine Formula: C23H38N6O2 MolecularWeight: 430.58682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2C=CN=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2C=CN=C2

InChI

InChI=1S/C23H38N6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-22-21(29(30)31)23(27-19-26-22)28-18-17-24-20-28/h17-20H,2-16H2,1H3,(H,25,26,27)