methyl 6-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]hexanoate

Systemtic Name: methyl 6-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]hexanoate Openeye Name: methyl 6-[[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]amino]hexanoate CAS Name: 6-[[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)amino]hexanoate Traditional Name: 6-[(5-nitro-6-piperidino-pyrimidin-4-yl)amino]hexanoic acid methyl ester Formula: C16H25N5O4 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCCC2

Isomeric SMILES

COC(=O)CCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCCC2

InChI

InChI=1S/C16H25N5O4/c1-25-13(22)8-4-2-5-9-17-15-14(21(23)24)16(19-12-18-15)20-10-6-3-7-11-20/h12H,2-11H2,1H3,(H,17,18,19)