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

Systemtic Name: 1-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-nitro-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-(2-oxolanylmethylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]isonipecotic acid Formula: C15H21N5O5 MolecularWeight: 351.35774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

Isomeric SMILES

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

InChI

InChI=1S/C15H21N5O5/c21-15(22)10-3-5-19(6-4-10)14-12(20(23)24)13(17-9-18-14)16-8-11-2-1-7-25-11/h9-11H,1-8H2,(H,21,22)(H,16,17,18)