8-[4-[3-methyl-6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline

Systemtic Name: 8-[4-[3-methyl-6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline Openeye Name: 8-[4-(6-isobutyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]sulfonylquinoline CAS Name: 8-[[4-[3-methyl-6-(2-methylpropyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 8-[4-[3-methyl-6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline Traditional Name: 8-[4-(6-isobutyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]sulfonylquinoline Formula: C29H31N7O2S MolecularWeight: 541.66714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC(=N2)CC(C)C)N3CCN(CC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)CC(C)C)N3CCN(CC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H31N7O2S/c1-20(2)19-25-31-28(26-21(3)33-36(29(26)32-25)23-11-5-4-6-12-23)34-15-17-35(18-16-34)39(37,38)24-13-7-9-22-10-8-14-30-27(22)24/h4-14,20H,15-19H2,1-3H3