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

Systemtic Name: (4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: [4-methyl-3-(1-piperidylsulfonyl)phenyl]-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: [4-methyl-3-(1-piperidinylsulfonyl)phenyl]-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (4-methyl-3-piperidin-1-ylsulfonylphenyl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (4-methyl-3-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)C(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C)S(=O)(=O)N5CCCCC5

InChI

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