5-[[2,3-bis(fluoranyl)phenyl]sulfanylmethyl]-6-(cyclohexylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-[[2,3-bis(fluoranyl)phenyl]sulfanylmethyl]-6-(cyclohexylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 6-(cyclohexylmethyl)-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 6-(cyclohexylmethyl)-5-[[(2,3-difluorophenyl)thio]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 6-(cyclohexylmethyl)-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 6-(cyclohexylmethyl)-5-[[(2,3-difluorophenyl)thio]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C20H21F2N3OS MolecularWeight: 389.462046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2=C(N=C3C=CNN3C2=O)CSC4=CC=CC(=C4F)F

Isomeric SMILES

C1CCC(CC1)CC2=C(N=C3C=CNN3C2=O)CSC4=CC=CC(=C4F)F

InChI

InChI=1S/C20H21F2N3OS/c21-15-7-4-8-17(19(15)22)27-12-16-14(11-13-5-2-1-3-6-13)20(26)25-18(24-16)9-10-23-25/h4,7-10,13,23H,1-3,5-6,11-12H2