4-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]sulfonylbenzonitrile Formula: C22H19N7O2S MolecularWeight: 445.49696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2C=NN3C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2C=NN3C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C22H19N7O2S/c23-14-17-6-8-19(9-7-17)32(30,31)28-12-10-27(11-13-28)21-20-15-26-29(22(20)25-16-24-21)18-4-2-1-3-5-18/h1-9,15-16H,10-13H2