3-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(1-benzyl-5-chloro-benzimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(1-benzyl-5-chloro-benzimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one Formula: C21H15ClN4OS MolecularWeight: 406.888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2CN4C=NC5=C(C4=O)C=CS5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2CN4C=NC5=C(C4=O)C=CS5

InChI

InChI=1S/C21H15ClN4OS/c22-15-6-7-18-17(10-15)24-19(26(18)11-14-4-2-1-3-5-14)12-25-13-23-20-16(21(25)27)8-9-28-20/h1-10,13H,11-12H2