ethyl 1-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-nitro-6-(2-thiophen-2-ylethylamino)-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O4S/c1-2-27-18(24)13-5-3-9-22(11-13)17-15(23(25)26)16(20-12-21-17)19-8-7-14-6-4-10-28-14/h4,6,10,12-13H,2-3,5,7-9,11H2,1H3,(H,19,20,21)