N-hexadecyl-6-morpholin-4-yl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-hexadecyl-6-morpholin-4-yl-5-nitro-pyrimidin-4-amine Openeye Name: N-hexadecyl-6-morpholino-5-nitro-pyrimidin-4-amine CAS Name: N-hexadecyl-6-(4-morpholinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-hexadecyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine Traditional Name: cetyl-(6-morpholino-5-nitro-pyrimidin-4-yl)amine Formula: C24H43N5O3 MolecularWeight: 449.62992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCOCC2

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCOCC2

InChI

InChI=1S/C24H43N5O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-23-22(29(30)31)24(27-21-26-23)28-17-19-32-20-18-28/h21H,2-20H2,1H3,(H,25,26,27)