[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-[3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-[3-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-(3-piperidinosulfonylphenyl)methanone Formula: C22H27N7O3S MolecularWeight: 469.55988

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C22H27N7O3S/c1-26-20-19(15-25-26)21(24-16-23-20)27-10-12-28(13-11-27)22(30)17-6-5-7-18(14-17)33(31,32)29-8-3-2-4-9-29/h5-7,14-16H,2-4,8-13H2,1H3