6-(hexadecylamino)-5-nitro-1H-pyrimidin-4-one

Systemtic Name: 6-(hexadecylamino)-5-nitro-1H-pyrimidin-4-one Openeye Name: 6-(hexadecylamino)-5-nitro-1H-pyrimidin-4-one CAS Name: 6-(hexadecylamino)-5-nitro-1H-pyrimidin-4-one IUPAC Name: 6-(hexadecylamino)-5-nitro-1H-pyrimidin-4-one Traditional Name: 6-(cetylamino)-5-nitro-1H-pyrimidin-4-one Formula: C20H36N4O3 MolecularWeight: 380.52484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=O)N=CN1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=O)N=CN1)[N+](=O)[O-]

InChI

InChI=1S/C20H36N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19-18(24(26)27)20(25)23-17-22-19/h17H,2-16H2,1H3,(H2,21,22,23,25)