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

Systemtic Name: methyl 1-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(2-thiophen-2-ylethylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4S/c1-26-17(23)12-5-8-21(9-6-12)16-14(22(24)25)15(19-11-20-16)18-7-4-13-3-2-10-27-13/h2-3,10-12H,4-9H2,1H3,(H,18,19,20)