3-ethyl-5-(4-fluorophenyl)-6-methyl-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-ethyl-5-(4-fluorophenyl)-6-methyl-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-5-(4-fluorophenyl)-6-methyl-2-[(1S)-2-oxocyclohexyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-5-(4-fluorophenyl)-6-methyl-2-[[(1S)-2-oxocyclohexyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-5-(4-fluorophenyl)-6-methyl-2-[(1S)-2-oxocyclohexyl]sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-5-(4-fluorophenyl)-2-[[(1S)-2-ketocyclohexyl]thio]-6-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H21FN2O2S2 MolecularWeight: 416.532043

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SC3CCCCC3=O)SC(=C2C4=CC=C(C=C4)F)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1S[C@H]3CCCCC3=O)SC(=C2C4=CC=C(C=C4)F)C

InChI

InChI=1S/C21H21FN2O2S2/c1-3-24-20(26)18-17(13-8-10-14(22)11-9-13)12(2)27-19(18)23-21(24)28-16-7-5-4-6-15(16)25/h8-11,16H,3-7H2,1-2H3/t16-/m0/s1