3-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-butylphenyl)-2-oxo-ethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-butylphenyl)-2-oxoethyl]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-butylphenyl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-butylphenyl)-2-keto-ethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C

InChI

InChI=1S/C20H22N2O2S/c1-4-5-6-15-7-9-16(10-8-15)17(23)11-22-12-21-19-18(20(22)24)13(2)14(3)25-19/h7-10,12H,4-6,11H2,1-3H3