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

Systemtic Name: ethyl 1-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C18H28N6O4 MolecularWeight: 392.45272

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C18H28N6O4/c1-3-21-8-10-22(11-9-21)16-15(24(26)27)17(20-13-19-16)23-7-5-6-14(12-23)18(25)28-4-2/h13-14H,3-12H2,1-2H3