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

Systemtic Name: 5-(4-bromophenyl)-2-(diphenylmethyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-benzhydryl-5-(4-bromophenyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-2-(diphenylmethyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-benzhydryl-5-(4-bromophenyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-benzhydryl-5-(4-bromophenyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C27H21BrN2OS MolecularWeight: 501.43744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(NC2=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(NC2=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H21BrN2OS/c1-2-21-23(19-13-15-20(28)16-14-19)24-26(31)29-25(30-27(24)32-21)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,22H,2H2,1H3,(H,29,30,31)