ethyl 1-[6-[2-[di(propan-2-yl)amino]ethylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[2-[di(propan-2-yl)amino]ethylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[2-(diisopropylamino)ethylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[2-[di(propan-2-yl)amino]ethylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[2-[di(propan-2-yl)amino]ethylamino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[2-(diisopropylamino)ethylamino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H34N6O4 MolecularWeight: 422.52176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N6O4/c1-6-30-20(27)16-7-10-24(11-8-16)19-17(26(28)29)18(22-13-23-19)21-9-12-25(14(2)3)15(4)5/h13-16H,6-12H2,1-5H3,(H,21,22,23)