2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethylazanium

Systemtic Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethylazanium Openeye Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethylammonium CAS Name: 2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]-1-pyrazolo[3,4-d]pyrimidinyl]ethylammonium IUPAC Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethylazanium Traditional Name: 2-[4-[4-(2-pyrimidyl)piperazino]pyrazolo[3,4-d]pyrimidin-1-yl]ethylammonium Formula: C15H20N9+ MolecularWeight: 326.3796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2C=NN3CC[NH3+])C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2C=NN3CC[NH3+])C4=NC=CC=N4

InChI

InChI=1S/C15H19N9/c16-2-5-24-14-12(10-21-24)13(19-11-20-14)22-6-8-23(9-7-22)15-17-3-1-4-18-15/h1,3-4,10-11H,2,5-9,16H2/p+1