N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide

Systemtic Name: N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide Openeye Name: N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide CAS Name: N-[2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]cyclopentanecarboxamide IUPAC Name: N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide Traditional Name: N-[2-[4-[4-(2-pyrimidyl)piperazino]pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide Formula: C21H27N9O MolecularWeight: 421.49878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NCCN2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCC(C1)C(=O)NCCN2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C21H27N9O/c31-20(16-4-1-2-5-16)22-8-9-30-19-17(14-27-30)18(25-15-26-19)28-10-12-29(13-11-28)21-23-6-3-7-24-21/h3,6-7,14-16H,1-2,4-5,8-13H2,(H,22,31)