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

Systemtic Name: 6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-5-ethyl-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-[(2-chloro-6-fluoro-phenyl)methyl]-5-ethyl-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-[(2-chloro-6-fluorophenyl)methyl]-5-ethyl-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-[(2-chloro-6-fluorophenyl)methyl]-5-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-(2-chloro-6-fluoro-benzyl)-5-ethyl-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-1H-pyrimidin-4-one Formula: C22H20ClFN2O3S MolecularWeight: 446.922203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)OC)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)OC)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H20ClFN2O3S/c1-3-15-19(11-16-17(23)5-4-6-18(16)24)25-22(26-21(15)28)30-12-20(27)13-7-9-14(29-2)10-8-13/h4-10H,3,11-12H2,1-2H3,(H,25,26,28)