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

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-5,6-dimethyl-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H16Cl2N2OS2 MolecularWeight: 447.40054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16Cl2N2OS2/c1-12-13(2)28-19-18(12)20(26)25(15-6-4-3-5-7-15)21(24-19)27-11-14-8-9-16(22)17(23)10-14/h3-10H,11H2,1-2H3