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

Systemtic Name: tert-butyl 4-[4-(4-fluorophenyl)-5-(2-propylsulfanylpyrimidin-4-yl)imidazol-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-fluorophenyl)-5-(2-propylsulfanylpyrimidin-4-yl)imidazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(4-fluorophenyl)-5-[2-(propylthio)-4-pyrimidinyl]-1-imidazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-fluorophenyl)-5-(2-propylsulfanylpyrimidin-4-yl)imidazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-fluorophenyl)-5-[2-(propylthio)pyrimidin-4-yl]imidazol-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H32FN5O2S MolecularWeight: 497.627983

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=CC(=N1)C2=C(N=CN2C3CCN(CC3)C(=O)OC(C)(C)C)C4=CC=C(C=C4)F

Isomeric SMILES

CCCSC1=NC=CC(=N1)C2=C(N=CN2C3CCN(CC3)C(=O)OC(C)(C)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H32FN5O2S/c1-5-16-35-24-28-13-10-21(30-24)23-22(18-6-8-19(27)9-7-18)29-17-32(23)20-11-14-31(15-12-20)25(33)34-26(2,3)4/h6-10,13,17,20H,5,11-12,14-16H2,1-4H3