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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-3-ethyl-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-ethyl-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-2-[(2-keto-3,3-dimethyl-butyl)thio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)C(C)(C)C)SC=C2C3=CC=CC=C3

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)C(C)(C)C)SC=C2C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O2S2/c1-5-22-18(24)16-14(13-9-7-6-8-10-13)11-25-17(16)21-19(22)26-12-15(23)20(2,3)4/h6-11H,5,12H2,1-4H3