2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine

Systemtic Name: 2-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine Openeye Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine CAS Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine IUPAC Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine Traditional Name: 2-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine Formula: C21H23FN2O2S MolecularWeight: 386.482923

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNC(=NC1)SCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CNC(=NC1)SCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H23FN2O2S/c1-21(2)12-23-20(24-13-21)27-11-16-9-17(22)8-15-10-25-19(26-18(15)16)14-6-4-3-5-7-14/h3-9,19H,10-13H2,1-2H3,(H,23,24)/t19-/m0/s1