2-[[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[1-(difluoromethyl)-2-benzimidazolyl]methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C16H16F2N4OS MolecularWeight: 350.386246

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NC3=CC=CC=C3N2C(F)F

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NC3=CC=CC=C3N2C(F)F

InChI

InChI=1S/C16H16F2N4OS/c1-2-5-10-8-14(23)21-16(19-10)24-9-13-20-11-6-3-4-7-12(11)22(13)15(17)18/h3-4,6-8,15H,2,5,9H2,1H3,(H,19,21,23)