2-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[3,4-d]pyrimidin-1-yl]ethylazanium

Systemtic Name: 2-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[3,4-d]pyrimidin-1-yl]ethylazanium Openeye Name: 2-[4-(4-benzylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethylammonium CAS Name: 2-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-pyrazolo[3,4-d]pyrimidinyl]ethylammonium IUPAC Name: 2-[4-(4-benzylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethylazanium Traditional Name: 2-[4-(4-benzylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethylammonium Formula: C18H25N7+2 MolecularWeight: 339.438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3C=NN4CC[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3C=NN4CC[NH3+]

InChI

InChI=1S/C18H23N7/c19-6-7-25-18-16(12-22-25)17(20-14-21-18)24-10-8-23(9-11-24)13-15-4-2-1-3-5-15/h1-5,12,14H,6-11,13,19H2/p+2