tert-butyl 4-[5-(4-azanylpyrimidin-2-yl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-(4-azanylpyrimidin-2-yl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-(4-aminopyrimidin-2-yl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[5-(4-amino-2-pyrimidinyl)-4-(4-fluorophenyl)-1-imidazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(4-aminopyrimidin-2-yl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(4-aminopyrimidin-2-yl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H27FN6O2 MolecularWeight: 438.497883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N2C=NC(=C2C3=NC=CC(=N3)N)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2C=NC(=C2C3=NC=CC(=N3)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H27FN6O2/c1-23(2,3)32-22(31)29-12-9-17(10-13-29)30-14-27-19(15-4-6-16(24)7-5-15)20(30)21-26-11-8-18(25)28-21/h4-8,11,14,17H,9-10,12-13H2,1-3H3,(H2,25,26,28)