3-[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(2,5-diethylphenyl)-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(2,5-diethylphenyl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(2,5-diethylphenyl)-2-keto-ethyl]thieno[2,3-d]pyrimidin-4-one Formula: C18H18N2O2S MolecularWeight: 326.41272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)CN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)CN2C=NC3=C(C2=O)C=CS3

InChI

InChI=1S/C18H18N2O2S/c1-3-12-5-6-13(4-2)15(9-12)16(21)10-20-11-19-17-14(18(20)22)7-8-23-17/h5-9,11H,3-4,10H2,1-2H3