6-[[2,6-bis(fluoranyl)phenyl]methyl]-2-butan-2-ylsulfanyl-5-propan-2-yl-1H-pyrimidin-4-one

Systemtic Name: 6-[[2,6-bis(fluoranyl)phenyl]methyl]-2-butan-2-ylsulfanyl-5-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 6-[(2,6-difluorophenyl)methyl]-5-isopropyl-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-6-[(2,6-difluorophenyl)methyl]-5-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 2-butan-2-ylsulfanyl-6-[(2,6-difluorophenyl)methyl]-5-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 6-(2,6-difluorobenzyl)-5-isopropyl-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C18H22F2N2OS MolecularWeight: 352.441886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1)CC2=C(C=CC=C2F)F)C(C)C

Isomeric SMILES

CCC(C)SC1=NC(=O)C(=C(N1)CC2=C(C=CC=C2F)F)C(C)C

InChI

InChI=1S/C18H22F2N2OS/c1-5-11(4)24-18-21-15(16(10(2)3)17(23)22-18)9-12-13(19)7-6-8-14(12)20/h6-8,10-11H,5,9H2,1-4H3,(H,21,22,23)