N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C17H22N7+ MolecularWeight: 324.40348

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC3=NC=NC4=C3C=NN4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C17H21N7/c1-2-23-7-9-24(10-8-23)14-5-3-13(4-6-14)21-16-15-11-20-22-17(15)19-12-18-16/h3-6,11-12H,2,7-10H2,1H3,(H2,18,19,20,21,22)/p+1