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

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-(methoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methyl]-6-(methoxymethyl)-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-(2-chloro-6-fluoro-benzyl)-6-(methoxymethyl)-2-thioxo-1H-pyrimidin-4-one Formula: C13H12ClFN2O2S MolecularWeight: 314.762983

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(=O)NC(=S)N1)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

COCC1=C(C(=O)NC(=S)N1)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C13H12ClFN2O2S/c1-19-6-11-8(12(18)17-13(20)16-11)5-7-9(14)3-2-4-10(7)15/h2-4H,5-6H2,1H3,(H2,16,17,18,20)