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

Systemtic Name: 6-azanyl-2-[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl]thio]-1H-pyrimidin-4-one Formula: C13H12FN3O3S MolecularWeight: 309.316083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)N)F

InChI

InChI=1S/C13H12FN3O3S/c1-20-10-3-2-7(4-8(10)14)9(18)6-21-13-16-11(15)5-12(19)17-13/h2-5H,6H2,1H3,(H3,15,16,17,19)