5-butyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 5-butyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-butyl-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-butyl-2-[(2-chloro-6-fluorophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-butyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-butyl-2-[(2-chloro-6-fluoro-benzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C16H18ClFN2OS MolecularWeight: 340.843323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=NC1=O)SCC2=C(C=CC=C2Cl)F)C

Isomeric SMILES

CCCCC1=C(NC(=NC1=O)SCC2=C(C=CC=C2Cl)F)C

InChI

InChI=1S/C16H18ClFN2OS/c1-3-4-6-11-10(2)19-16(20-15(11)21)22-9-12-13(17)7-5-8-14(12)18/h5,7-8H,3-4,6,9H2,1-2H3,(H,19,20,21)