2-[(2,5-dimethylphenyl)methylsulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(2,5-dimethylphenyl)methylthio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(2,5-dimethylbenzyl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C16H16N2OS2 MolecularWeight: 316.44104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C16H16N2OS2/c1-10-3-4-11(2)12(7-10)8-20-9-14-17-13-5-6-21-15(13)16(19)18-14/h3-7H,8-9H2,1-2H3,(H,17,18,19)