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

Systemtic Name: 6-ethyl-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-3-phenethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-2-[(1S)-2-oxocyclohexyl]sulfanyl-3-phenethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-2-[[(1S)-2-oxocyclohexyl]thio]-3-phenethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-2-[(1S)-2-oxocyclohexyl]sulfanyl-3-phenethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-2-[[(1S)-2-ketocyclohexyl]thio]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H24N2O2S2 MolecularWeight: 412.56816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SC4CCCCC4=O

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)S[C@H]4CCCCC4=O

InChI

InChI=1S/C22H24N2O2S2/c1-2-16-14-17-20(27-16)23-22(28-19-11-7-6-10-18(19)25)24(21(17)26)13-12-15-8-4-3-5-9-15/h3-5,8-9,14,19H,2,6-7,10-13H2,1H3/t19-/m0/s1