3-methyl-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-methyl-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-methyl-2-(4-oxo-4-phenyl-butyl)sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-methyl-2-[(4-oxo-4-phenylbutyl)thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-methyl-2-(4-oxo-4-phenylbutyl)sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-keto-4-phenyl-butyl)thio]-3-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C17H16N2O2S2 MolecularWeight: 344.45114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCCCC(=O)C3=CC=CC=C3)SC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCCCC(=O)C3=CC=CC=C3)SC=C2

InChI

InChI=1S/C17H16N2O2S2/c1-19-16(21)13-9-11-22-15(13)18-17(19)23-10-5-8-14(20)12-6-3-2-4-7-12/h2-4,6-7,9,11H,5,8,10H2,1H3