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

Systemtic Name: ethyl 1-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O4S/c1-2-27-18(24)13-6-9-22(10-7-13)17-15(23(25)26)16(20-12-21-17)19-8-5-14-4-3-11-28-14/h3-4,11-13H,2,5-10H2,1H3,(H,19,20,21)