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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H18N2OS2 MolecularWeight: 378.51042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C21H18N2OS2/c1-13-8-9-14(2)16(10-13)11-26-21-22-19(24)18-17(12-25-20(18)23-21)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,22,23,24)