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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C=CS3

InChI

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