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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2S/c1-18(2,3)13-6-4-12(5-7-13)15(21)10-20-11-19-16-14(17(20)22)8-9-23-16/h4-9,11H,10H2,1-3H3