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

Systemtic Name: 3-(3,3-dimethyl-2-oxidanylidene-butyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(3,3-dimethyl-2-oxo-butyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(3,3-dimethyl-2-oxobutyl)-5-(4-fluorophenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(3,3-dimethyl-2-oxobutyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-fluorophenyl)-3-(2-keto-3,3-dimethyl-butyl)thieno[2,3-d]pyrimidin-4-one Formula: C18H17FN2O2S MolecularWeight: 344.403183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H17FN2O2S/c1-18(2,3)14(22)8-21-10-20-16-15(17(21)23)13(9-24-16)11-4-6-12(19)7-5-11/h4-7,9-10H,8H2,1-3H3