6-[(3S)-1-[(2-fluoranyl-4,5-dimethoxy-phenyl)methyl]piperidin-3-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[(3S)-1-[(2-fluoranyl-4,5-dimethoxy-phenyl)methyl]piperidin-3-yl]-1H-pyrimidin-4-one Openeye Name: 6-[(3S)-1-[(2-fluoro-4,5-dimethoxy-phenyl)methyl]-3-piperidyl]-1H-pyrimidin-4-one CAS Name: 6-[(3S)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-3-piperidinyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(3S)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-4-one Traditional Name: 6-[(3S)-1-(2-fluoro-4,5-dimethoxy-benzyl)-3-piperidyl]-1H-pyrimidin-4-one Formula: C18H22FN3O3 MolecularWeight: 347.383983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCCC(C2)C3=CC(=O)N=CN3)F)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCC[C@@H](C2)C3=CC(=O)N=CN3)F)OC

InChI

InChI=1S/C18H22FN3O3/c1-24-16-6-13(14(19)7-17(16)25-2)10-22-5-3-4-12(9-22)15-8-18(23)21-11-20-15/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,21,23)/t12-/m0/s1