2-[1-(4-bromophenyl)sulfanylethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[1-(4-bromophenyl)sulfanylethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[1-(4-bromophenyl)sulfanylethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[1-[(4-bromophenyl)thio]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[1-(4-bromophenyl)sulfanylethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[1-[(4-bromophenyl)thio]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H15BrN2OS2 MolecularWeight: 395.3371

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)SC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C(C)SC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C16H15BrN2OS2/c1-8-9(2)22-16-13(8)15(20)18-14(19-16)10(3)21-12-6-4-11(17)5-7-12/h4-7,10H,1-3H3,(H,18,19,20)