2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]benzonitrile Formula: C18H19N7 MolecularWeight: 333.39036

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=CC=CC=C4C#N

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=CC=CC=C4C#N

InChI

InChI=1S/C18H19N7/c1-23-17-16(11-22-23)18(21-13-20-17)25-8-6-24(7-9-25)12-15-5-3-2-4-14(15)10-19/h2-5,11,13H,6-9,12H2,1H3