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

Systemtic Name: (4-iodophenyl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (4-iodophenyl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: (4-iodophenyl)-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (4-iodophenyl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (4-iodophenyl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methanone Formula: C17H17IN6O MolecularWeight: 448.26095

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17IN6O/c1-22-15-14(10-21-22)16(20-11-19-15)23-6-8-24(9-7-23)17(25)12-2-4-13(18)5-3-12/h2-5,10-11H,6-9H2,1H3