ethyl 1-[6-[3-[methyl(phenyl)amino]propylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[3-[methyl(phenyl)amino]propylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[3-(N-methylanilino)propylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[3-(N-methylanilino)propylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[3-(N-methylanilino)propylamino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[3-(N-methylanilino)propylamino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C22H30N6O4 MolecularWeight: 442.5114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O4/c1-3-32-22(29)17-10-14-27(15-11-17)21-19(28(30)31)20(24-16-25-21)23-12-7-13-26(2)18-8-5-4-6-9-18/h4-6,8-9,16-17H,3,7,10-15H2,1-2H3,(H,23,24,25)