6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-1H-pyrimidin-4-one

Systemtic Name: 6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-1H-pyrimidin-4-one Openeye Name: 6-[(2-chloro-6-fluoro-phenyl)methyl]-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-5-methyl-1H-pyrimidin-4-one CAS Name: 6-[(2-chloro-6-fluorophenyl)methyl]-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-5-methyl-1H-pyrimidin-4-one IUPAC Name: 6-[(2-chloro-6-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5-methyl-1H-pyrimidin-4-one Traditional Name: 6-(2-chloro-6-fluoro-benzyl)-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-5-methyl-1H-pyrimidin-4-one Formula: C21H18ClFN2O3S MolecularWeight: 432.895623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClFN2O3S/c1-12-18(10-15-16(22)4-3-5-17(15)23)24-21(25-20(12)27)29-11-19(26)13-6-8-14(28-2)9-7-13/h3-9H,10-11H2,1-2H3,(H,24,25,27)