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

Systemtic Name: ethyl 1-[5-nitro-6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[3-(1-pyrrolidinyl)propylamino]-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(3-pyrrolidinopropylamino)pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C19H30N6O4 MolecularWeight: 406.4793

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCCN3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCCN3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H30N6O4/c1-2-29-19(26)15-6-12-24(13-7-15)18-16(25(27)28)17(21-14-22-18)20-8-5-11-23-9-3-4-10-23/h14-15H,2-13H2,1H3,(H,20,21,22)