tert-butyl (1S,4S)-5-pyrimidin-5-yl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

Systemtic Name: tert-butyl (1S,4S)-5-pyrimidin-5-yl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Openeye Name: tert-butyl (1S,4S)-5-pyrimidin-5-yl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate CAS Name: (1S,4S)-5-(5-pyrimidinyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,4S)-5-pyrimidin-5-yl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Traditional Name: (1S,4S)-5-(5-pyrimidyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester Formula: C14H20N4O2 MolecularWeight: 276.3342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC1CN2C3=CN=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C3=CN=CN=C3

InChI

InChI=1S/C14H20N4O2/c1-14(2,3)20-13(19)18-8-10-4-11(18)7-17(10)12-5-15-9-16-6-12/h5-6,9-11H,4,7-8H2,1-3H3/t10-,11-/m0/s1