3-[3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propyl]-1H-benzimidazol-2-one Formula: C21H18N6OS MolecularWeight: 402.47222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCCN4C5=CC=CC=C5NC4=O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCCN4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C21H18N6OS/c28-21-25-17-9-4-5-10-18(17)26(21)11-6-12-29-20-16-13-24-27(19(16)22-14-23-20)15-7-2-1-3-8-15/h1-5,7-10,13-14H,6,11-12H2,(H,25,28)