6-[[2,6-bis(fluoranyl)phenyl]methyl]-2-cyclopentylsulfanyl-5-ethyl-1H-pyrimidin-4-one

Systemtic Name: 6-[[2,6-bis(fluoranyl)phenyl]methyl]-2-cyclopentylsulfanyl-5-ethyl-1H-pyrimidin-4-one Openeye Name: 2-cyclopentylsulfanyl-6-[(2,6-difluorophenyl)methyl]-5-ethyl-1H-pyrimidin-4-one CAS Name: 2-(cyclopentylthio)-6-[(2,6-difluorophenyl)methyl]-5-ethyl-1H-pyrimidin-4-one IUPAC Name: 2-cyclopentylsulfanyl-6-[(2,6-difluorophenyl)methyl]-5-ethyl-1H-pyrimidin-4-one Traditional Name: 2-(cyclopentylthio)-6-(2,6-difluorobenzyl)-5-ethyl-1H-pyrimidin-4-one Formula: C18H20F2N2OS MolecularWeight: 350.426006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SC2CCCC2)CC3=C(C=CC=C3F)F

Isomeric SMILES

CCC1=C(NC(=NC1=O)SC2CCCC2)CC3=C(C=CC=C3F)F

InChI

InChI=1S/C18H20F2N2OS/c1-2-12-16(10-13-14(19)8-5-9-15(13)20)21-18(22-17(12)23)24-11-6-3-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,21,22,23)