tert-butyl 2-[4-(4-fluorophenyl)-5-(2-sulfanylidene-1H-pyrimidin-6-yl)imidazol-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-[4-(4-fluorophenyl)-5-(2-sulfanylidene-1H-pyrimidin-6-yl)imidazol-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-[4-(4-fluorophenyl)-5-(2-thioxo-1H-pyrimidin-6-yl)imidazol-1-yl]piperidine-1-carboxylate CAS Name: 2-[4-(4-fluorophenyl)-5-(2-sulfanylidene-1H-pyrimidin-6-yl)-1-imidazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(4-fluorophenyl)-5-(2-sulfanylidene-1H-pyrimidin-6-yl)imidazol-1-yl]piperidine-1-carboxylate Traditional Name: 2-[4-(4-fluorophenyl)-5-(2-thioxo-1H-pyrimidin-6-yl)imidazol-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H26FN5O2S MolecularWeight: 455.548243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC1N2C=NC(=C2C3=CC=NC(=S)N3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCC1N2C=NC(=C2C3=CC=NC(=S)N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN5O2S/c1-23(2,3)31-22(30)28-13-5-4-6-18(28)29-14-26-19(15-7-9-16(24)10-8-15)20(29)17-11-12-25-21(32)27-17/h7-12,14,18H,4-6,13H2,1-3H3,(H,25,27,32)