5-(4-fluorophenyl)-6-methyl-2-(oxan-2-ylmethylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-fluorophenyl)-6-methyl-2-(oxan-2-ylmethylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-fluorophenyl)-6-methyl-2-(tetrahydropyran-2-ylmethylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-fluorophenyl)-6-methyl-2-(2-oxanylmethylthio)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-fluorophenyl)-6-methyl-2-(oxan-2-ylmethylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-fluorophenyl)-6-methyl-2-(tetrahydropyran-2-ylmethylthio)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H19FN2O2S2 MolecularWeight: 390.494763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)SCC3CCCCO3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SCC3CCCCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H19FN2O2S2/c1-11-15(12-5-7-13(20)8-6-12)16-17(23)21-19(22-18(16)26-11)25-10-14-4-2-3-9-24-14/h5-8,14H,2-4,9-10H2,1H3,(H,21,22,23)