2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C22H28N8O3S MolecularWeight: 484.57452

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C22H28N8O3S/c1-27-21-19(14-25-27)22(24-16-23-21)29-11-9-28(10-12-29)15-20(31)26-17-5-4-6-18(13-17)34(32,33)30-7-2-3-8-30/h4-6,13-14,16H,2-3,7-12,15H2,1H3,(H,26,31)