ethyl 1-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-nitro-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-nitro-6-(2-oxolanylmethylamino)-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C17H25N5O5 MolecularWeight: 379.4109

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O5/c1-2-26-17(23)12-5-3-7-21(10-12)16-14(22(24)25)15(19-11-20-16)18-9-13-6-4-8-27-13/h11-13H,2-10H2,1H3,(H,18,19,20)