4-(1H-benzimidazol-2-yl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1H-benzimidazol-2-yl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1H-benzimidazol-2-yl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(1H-benzimidazol-2-yl)-1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-benzimidazol-2-yl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1H-benzimidazol-2-yl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]butan-1-one Formula: C21H24N8O MolecularWeight: 404.46826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CCCC4=NC5=CC=CC=C5N4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CCCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H24N8O/c1-27-20-15(13-24-27)21(23-14-22-20)29-11-9-28(10-12-29)19(30)8-4-7-18-25-16-5-2-3-6-17(16)26-18/h2-3,5-6,13-14H,4,7-12H2,1H3,(H,25,26)