2-[(5-chloranyl-3-ethanoyl-2-oxidanyl-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(5-chloranyl-3-ethanoyl-2-oxidanyl-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(3-acetyl-5-chloro-2-hydroxy-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(3-acetyl-5-chloro-2-hydroxyphenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(3-acetyl-5-chloro-2-hydroxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(3-acetyl-5-chloro-2-hydroxy-benzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C14H13ClN2O3S MolecularWeight: 324.78262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC2=C(C(=CC(=C2)Cl)C(=O)C)O

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC2=C(C(=CC(=C2)Cl)C(=O)C)O

InChI

InChI=1S/C14H13ClN2O3S/c1-7-3-12(19)17-14(16-7)21-6-9-4-10(15)5-11(8(2)18)13(9)20/h3-5,20H,6H2,1-2H3,(H,16,17,19)