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

Systemtic Name: 1-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-(2-thiophen-2-ylethylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]isonipecotic acid Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4S/c22-16(23)11-4-7-20(8-5-11)15-13(21(24)25)14(18-10-19-15)17-6-3-12-2-1-9-26-12/h1-2,9-11H,3-8H2,(H,22,23)(H,17,18,19)