5-(4-fluorophenyl)-6-methyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-fluorophenyl)-6-methyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-fluorophenyl)-6-methyl-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-fluorophenyl)-6-methyl-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-fluorophenyl)-6-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-fluorophenyl)-2-[(2-keto-2-piperidino-ethyl)thio]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H20FN3O2S2 MolecularWeight: 417.520103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)N3CCCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)N3CCCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN3O2S2/c1-12-16(13-5-7-14(21)8-6-13)17-18(26)22-20(23-19(17)28-12)27-11-15(25)24-9-3-2-4-10-24/h5-8H,2-4,9-11H2,1H3,(H,22,23,26)