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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-bromophenyl)methylthio]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-bromobenzyl)thio]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C15H13BrN2OS2 MolecularWeight: 381.31052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C15H13BrN2OS2/c1-8-9(2)21-14-12(8)13(19)17-15(18-14)20-7-10-3-5-11(16)6-4-10/h3-6H,7H2,1-2H3,(H,17,18,19)