5-(4-chlorophenyl)-3-(3-oxidanylidenebutan-2-yl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-chlorophenyl)-3-(3-oxidanylidenebutan-2-yl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-chlorophenyl)-3-(1-methyl-2-oxo-propyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-chlorophenyl)-3-(3-oxobutan-2-yl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-chlorophenyl)-3-(3-oxobutan-2-yl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-chlorophenyl)-3-(2-keto-1-methyl-propyl)thieno[2,3-d]pyrimidin-4-one Formula: C16H13ClN2O2S MolecularWeight: 332.80462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)C)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN2O2S/c1-9(10(2)20)19-8-18-15-14(16(19)21)13(7-22-15)11-3-5-12(17)6-4-11/h3-9H,1-2H3