ethyl 1-[6-(furan-3-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(furan-3-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(3-furylmethylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(3-furanylmethylamino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(furan-3-ylmethylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3-furfurylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=COC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=COC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O5/c1-2-27-17(23)13-3-6-21(7-4-13)16-14(22(24)25)15(19-11-20-16)18-9-12-5-8-26-10-12/h5,8,10-11,13H,2-4,6-7,9H2,1H3,(H,18,19,20)