2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-bromophenyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-bromophenyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-bromophenyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-(4-bromophenyl)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-bromophenyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-(4-bromophenyl)thieno[3,2-d]pyrimidin-4-one Formula: C20H13BrN4OS2 MolecularWeight: 469.37742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)Br)SC=C4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)Br)SC=C4

InChI

InChI=1S/C20H13BrN4OS2/c21-12-5-7-13(8-6-12)25-19(26)18-16(9-10-27-18)24-20(25)28-11-17-22-14-3-1-2-4-15(14)23-17/h1-10H,11H2,(H,22,23)