5,6-dimethyl-2-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(4-phenylphenyl)ethyl]thio]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H18N2O2S2/c1-13-14(2)28-21-19(13)20(26)23-22(24-21)27-12-18(25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,23,24,26)