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

Systemtic Name: methyl 1-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-nitro-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(2-oxolanylmethylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C16H23N5O5 MolecularWeight: 365.38432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O5/c1-25-16(22)11-4-6-20(7-5-11)15-13(21(23)24)14(18-10-19-15)17-9-12-3-2-8-26-12/h10-12H,2-9H2,1H3,(H,17,18,19)