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

Systemtic Name: 6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-5-methyl-2-phenacylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-[(2-chloro-6-fluoro-phenyl)methyl]-5-methyl-2-phenacylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-(phenacylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-phenacylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-(2-chloro-6-fluoro-benzyl)-5-methyl-2-(phenacylthio)-1H-pyrimidin-4-one Formula: C20H16ClFN2O2S MolecularWeight: 402.869643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC(=O)C2=CC=CC=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC(=O)C2=CC=CC=C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H16ClFN2O2S/c1-12-17(10-14-15(21)8-5-9-16(14)22)23-20(24-19(12)26)27-11-18(25)13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,23,24,26)