tert-butyl 4-[3-(pyrimidin-2-ylamino)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(pyrimidin-2-ylamino)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(pyrimidin-2-ylamino)benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[3-(2-pyrimidinylamino)phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(pyrimidin-2-ylamino)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(2-pyrimidylamino)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

InChI

InChI=1S/C20H25N5O3/c1-20(2,3)28-19(27)25-12-10-24(11-13-25)17(26)15-6-4-7-16(14-15)23-18-21-8-5-9-22-18/h4-9,14H,10-13H2,1-3H3,(H,21,22,23)