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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-fluorophenyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H17FN2O2S2 MolecularWeight: 376.468183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)N1

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)N1

InChI

InChI=1S/C18H17FN2O2S2/c1-18(2,3)13(22)9-25-17-20-15(23)14-12(8-24-16(14)21-17)10-4-6-11(19)7-5-10/h4-8H,9H2,1-3H3,(H,20,21,23)