1-[4-[5-(3-fluorophenyl)-2-(2-methoxyethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-pyrazol-1-yl-ethanone

Systemtic Name: 1-[4-[5-(3-fluorophenyl)-2-(2-methoxyethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-pyrazol-1-yl-ethanone Openeye Name: 1-[4-[5-(3-fluorophenyl)-2-(2-methoxyethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]-2-pyrazol-1-yl-ethanone CAS Name: 1-[4-[5-(3-fluorophenyl)-2-(2-methoxyethylthio)-4-pyrimidinyl]-1-piperidinyl]-2-(1-pyrazolyl)ethanone IUPAC Name: 1-[4-[5-(3-fluorophenyl)-2-(2-methoxyethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone Traditional Name: 1-[4-[5-(3-fluorophenyl)-2-(2-methoxyethylthio)pyrimidin-4-yl]piperidino]-2-pyrazol-1-yl-ethanone Formula: C23H26FN5O2S MolecularWeight: 455.548243

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NC=C(C(=N1)C2CCN(CC2)C(=O)CN3C=CC=N3)C4=CC(=CC=C4)F

Isomeric SMILES

COCCSC1=NC=C(C(=N1)C2CCN(CC2)C(=O)CN3C=CC=N3)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H26FN5O2S/c1-31-12-13-32-23-25-15-20(18-4-2-5-19(24)14-18)22(27-23)17-6-10-28(11-7-17)21(30)16-29-9-3-8-26-29/h2-5,8-9,14-15,17H,6-7,10-13,16H2,1H3