6-azanyl-2-[2-(4-fluoranyl-3-methyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-(4-fluoranyl-3-methyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-(4-fluoro-3-methyl-phenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[2-(4-fluoro-3-methyl-phenyl)-2-keto-ethyl]thio]-1H-pyrimidin-4-one Formula: C13H12FN3O2S MolecularWeight: 293.316683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)CSC2=NC(=O)C=C(N2)N)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)CSC2=NC(=O)C=C(N2)N)F

InChI

InChI=1S/C13H12FN3O2S/c1-7-4-8(2-3-9(7)14)10(18)6-20-13-16-11(15)5-12(19)17-13/h2-5H,6H2,1H3,(H3,15,16,17,19)