2-(3-oxidanylidenebutan-2-ylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(3-oxidanylidenebutan-2-ylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1-methyl-2-oxo-propyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(3-oxobutan-2-ylthio)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(3-oxobutan-2-ylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-keto-1-methyl-propyl)thio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H14N2O2S2 MolecularWeight: 330.42456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CC(C(=O)C)SC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C16H14N2O2S2/c1-9(19)10(2)22-16-17-14(20)13-12(8-21-15(13)18-16)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,18,20)