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

Systemtic Name: 5-(4-bromophenyl)-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-3-[2-oxo-2-(p-tolyl)ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-bromophenyl)-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]thieno[2,3-d]pyrimidin-4-one Formula: C21H15BrN2O2S MolecularWeight: 439.325

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H15BrN2O2S/c1-13-2-4-15(5-3-13)18(25)10-24-12-23-20-19(21(24)26)17(11-27-20)14-6-8-16(22)9-7-14/h2-9,11-12H,10H2,1H3