6-(1H-benzimidazol-2-ylsulfanylmethyl)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H14N6OS MolecularWeight: 374.41906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C19H14N6OS/c26-18-13-10-20-25(12-6-2-1-3-7-12)17(13)23-16(24-18)11-27-19-21-14-8-4-5-9-15(14)22-19/h1-10,20H,11H2,(H,21,22)