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

Systemtic Name: ethyl 1-[5-nitro-6-(4-prop-2-enylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(4-allylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(4-prop-2-enyl-1-piperazinyl)-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(4-prop-2-enylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-allylpiperazino)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C19H28N6O4 MolecularWeight: 404.46342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)CC=C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)CC=C)[N+](=O)[O-]

InChI

InChI=1S/C19H28N6O4/c1-3-7-22-10-12-24(13-11-22)18-16(25(27)28)17(20-14-21-18)23-8-5-15(6-9-23)19(26)29-4-2/h3,14-15H,1,4-13H2,2H3