2-[(4-chlorophenyl)methylsulfanyl]-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-5,6-dimethyl-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H17ClN2OS2 MolecularWeight: 412.95548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

InChI

InChI=1S/C21H17ClN2OS2/c1-13-14(2)27-19-18(13)20(25)24(17-6-4-3-5-7-17)21(23-19)26-12-15-8-10-16(22)11-9-15/h3-11H,12H2,1-2H3