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

Systemtic Name: 5-(4-methylphenyl)-2-(3-oxidanylidenebutan-2-ylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1-methyl-2-oxo-propyl)sulfanyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-(3-oxobutan-2-ylthio)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-methylphenyl)-2-(3-oxobutan-2-ylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-keto-1-methyl-propyl)thio]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H16N2O2S2 MolecularWeight: 344.45114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SC(C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SC(C)C(=O)C

InChI

InChI=1S/C17H16N2O2S2/c1-9-4-6-12(7-5-9)13-8-22-16-14(13)15(21)18-17(19-16)23-11(3)10(2)20/h4-8,11H,1-3H3,(H,18,19,21)