ethyl 1-[6-[2-dimethylaminoethyl-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[2-dimethylaminoethyl-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[benzyl(2-dimethylaminoethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[2-dimethylaminoethyl-(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[benzyl(2-dimethylaminoethyl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[benzyl(2-dimethylaminoethyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C23H32N6O4 MolecularWeight: 456.53798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N(CCN(C)C)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N(CCN(C)C)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H32N6O4/c1-4-33-23(30)19-10-12-27(13-11-19)21-20(29(31)32)22(25-17-24-21)28(15-14-26(2)3)16-18-8-6-5-7-9-18/h5-9,17,19H,4,10-16H2,1-3H3