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

Systemtic Name: ethyl 4-[[5-nitro-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-(3-isopropoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[5-nitro-6-(3-propan-2-yloxypropylamino)-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-nitro-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-(3-isopropoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C18H30N6O5 MolecularWeight: 410.468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCCCOC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C(=NC=N2)NCCCOC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H30N6O5/c1-4-28-18(25)23-9-6-14(7-10-23)22-17-15(24(26)27)16(20-12-21-17)19-8-5-11-29-13(2)3/h12-14H,4-11H2,1-3H3,(H2,19,20,21,22)