tert-butyl 3-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]propanoate

Systemtic Name: tert-butyl 3-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]propanoate Openeye Name: tert-butyl 3-[[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]amino]propanoate CAS Name: 3-[[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)amino]propanoate Traditional Name: 3-[(5-nitro-6-piperidino-pyrimidin-4-yl)amino]propionic acid tert-butyl ester Formula: C16H25N5O4 MolecularWeight: 351.4008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCCCC2

InChI

InChI=1S/C16H25N5O4/c1-16(2,3)25-12(22)7-8-17-14-13(21(23)24)15(19-11-18-14)20-9-5-4-6-10-20/h11H,4-10H2,1-3H3,(H,17,18,19)