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

Systemtic Name: 3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-bromophenyl)-2-oxo-ethyl]-6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-bromophenyl)-2-oxoethyl]-6-methyl-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-bromophenyl)-2-oxoethyl]-6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-bromophenyl)-2-keto-ethyl]-6-methyl-5-(p-tolyl)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)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)C4=CC=C(C=C4)Br)C

InChI

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