2-[(4-chlorophenyl)methylsulfanyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-one Formula: C13H11ClN2OS2 MolecularWeight: 310.82224

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CS1)NC(=NC2=O)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1C2=C(CS1)NC(=NC2=O)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H11ClN2OS2/c14-9-3-1-8(2-4-9)5-19-13-15-11-7-18-6-10(11)12(17)16-13/h1-4H,5-7H2,(H,15,16,17)