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

Systemtic Name: 2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethylazanium Openeye Name: 2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethylammonium CAS Name: 2-[4-(1-azepanyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethylammonium IUPAC Name: 2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethylazanium Traditional Name: 2-[4-(azepan-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethylammonium Formula: C13H21N6+ MolecularWeight: 261.34604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=NC3=C2C=NN3CC[NH3+]

Isomeric SMILES

C1CCCN(CC1)C2=NC=NC3=C2C=NN3CC[NH3+]

InChI

InChI=1S/C13H20N6/c14-5-8-19-13-11(9-17-19)12(15-10-16-13)18-6-3-1-2-4-7-18/h9-10H,1-8,14H2/p+1