ethyl 1-[5-nitro-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(3-isopropoxypropylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(3-propan-2-yloxypropylamino)-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3-isopropoxypropylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C18H29N5O5 MolecularWeight: 395.45336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O5/c1-4-27-18(24)14-6-9-22(10-7-14)17-15(23(25)26)16(20-12-21-17)19-8-5-11-28-13(2)3/h12-14H,4-11H2,1-3H3,(H,19,20,21)