3-[4-[4-azanyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenoxy]benzamide

Systemtic Name: 3-[4-[4-azanyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenoxy]benzamide Openeye Name: 3-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenoxy]benzamide CAS Name: 3-[4-[4-amino-1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-3-pyrazolo[3,4-d]pyrimidinyl]phenoxy]benzamide IUPAC Name: 3-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenoxy]benzamide Traditional Name: 3-[4-[4-amino-1-[4-(4-methylpiperazino)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenoxy]benzamide Formula: C29H34N8O2 MolecularWeight: 526.63266

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=CC=CC(=C6)C(=O)N)C(=NC=N4)N

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=CC=CC(=C6)C(=O)N)C(=NC=N4)N

InChI

InChI=1S/C29H34N8O2/c1-35-13-15-36(16-14-35)21-7-9-22(10-8-21)37-29-25(27(30)32-18-33-29)26(34-37)19-5-11-23(12-6-19)39-24-4-2-3-20(17-24)28(31)38/h2-6,11-12,17-18,21-22H,7-10,13-16H2,1H3,(H2,31,38)(H2,30,32,33)