4-[4-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazino]sulfonylbenzonitrile Formula: C20H20N6O3S MolecularWeight: 424.4762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C20H20N6O3S/c1-14-18-11-16(13-22-19(18)24(2)23-14)20(27)25-7-9-26(10-8-25)30(28,29)17-5-3-15(12-21)4-6-17/h3-6,11,13H,7-10H2,1-2H3