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

Systemtic Name: 3-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-[2-(2,4-dimethylphenyl)-2-keto-ethyl]thieno[3,2-d]pyrimidin-4-one Formula: C16H14N2O2S MolecularWeight: 298.35956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CN2C=NC3=C(C2=O)SC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CN2C=NC3=C(C2=O)SC=C3)C

InChI

InChI=1S/C16H14N2O2S/c1-10-3-4-12(11(2)7-10)14(19)8-18-9-17-13-5-6-21-15(13)16(18)20/h3-7,9H,8H2,1-2H3