2-(2-iodanylphenoxy)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2-iodanylphenoxy)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(2-iodophenoxy)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-(2-iodophenoxy)-1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-iodophenoxy)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(2-iodophenoxy)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]ethanone Formula: C18H19IN6O2 MolecularWeight: 478.28693

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)COC4=CC=CC=C4I

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)COC4=CC=CC=C4I

InChI

InChI=1S/C18H19IN6O2/c1-23-17-13(10-22-23)18(21-12-20-17)25-8-6-24(7-9-25)16(26)11-27-15-5-3-2-4-14(15)19/h2-5,10,12H,6-9,11H2,1H3