tert-butyl 2-methyl-2-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]propanoate

Systemtic Name: tert-butyl 2-methyl-2-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]propanoate Openeye Name: tert-butyl 2-methyl-2-[[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]amino]propanoate CAS Name: 2-methyl-2-[[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-2-[(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)amino]propanoate Traditional Name: 2-methyl-2-[(5-nitro-6-piperidino-pyrimidin-4-yl)amino]propionic acid tert-butyl ester Formula: C17H27N5O4 MolecularWeight: 365.42738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)C(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCCCC2

InChI

InChI=1S/C17H27N5O4/c1-16(2,3)26-15(23)17(4,5)20-13-12(22(24)25)14(19-11-18-13)21-9-7-6-8-10-21/h11H,6-10H2,1-5H3,(H,18,19,20)