5-(4-bromophenyl)-6-methyl-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-bromophenyl)-6-methyl-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-6-methyl-3-[2-oxo-2-(p-tolyl)ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-6-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-bromophenyl)-6-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-3-[2-keto-2-(p-tolyl)ethyl]-6-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H17BrN2O2S MolecularWeight: 453.35158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17BrN2O2S/c1-13-3-5-15(6-4-13)18(26)11-25-12-24-21-20(22(25)27)19(14(2)28-21)16-7-9-17(23)10-8-16/h3-10,12H,11H2,1-2H3