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

Systemtic Name: 3-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-ethylphenyl)-2-oxo-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-ethylphenyl)-2-oxoethyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-ethylphenyl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-ethylphenyl)-2-keto-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O2S/c1-2-15-8-10-17(11-9-15)19(25)12-24-14-23-21-20(22(24)26)18(13-27-21)16-6-4-3-5-7-16/h3-11,13-14H,2,12H2,1H3