ethyl 1-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(1-phenylethylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC(C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC(C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4/c1-3-29-20(26)16-9-11-24(12-10-16)19-17(25(27)28)18(21-13-22-19)23-14(2)15-7-5-4-6-8-15/h4-8,13-14,16H,3,9-12H2,1-2H3,(H,21,22,23)