3-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-cyclohexylphenyl)-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-cyclohexylphenyl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-cyclohexylphenyl)-2-keto-ethyl]thieno[2,3-d]pyrimidin-4-one Formula: C20H20N2O2S MolecularWeight: 352.45

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C20H20N2O2S/c23-18(12-22-13-21-19-17(20(22)24)10-11-25-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-11,13-14H,1-5,12H2