(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: [2-methyl-5-(1-piperidylsulfonyl)phenyl]-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: [2-methyl-5-(1-piperidinylsulfonyl)phenyl]-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (2-methyl-5-piperidin-1-ylsulfonylphenyl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (2-methyl-5-piperidinosulfonyl-phenyl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methanone Formula: C23H29N7O3S MolecularWeight: 483.58646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)C4=NC=NC5=C4C=NN5C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)C4=NC=NC5=C4C=NN5C

InChI

InChI=1S/C23H29N7O3S/c1-17-6-7-18(34(32,33)30-8-4-3-5-9-30)14-19(17)23(31)29-12-10-28(11-13-29)22-20-15-26-27(2)21(20)24-16-25-22/h6-7,14-16H,3-5,8-13H2,1-2H3