4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-1H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidine Formula: C17H21N6O+ MolecularWeight: 325.38824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=NC=NC4=C3C=NN4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=NC=NC4=C3C=NN4

InChI

InChI=1S/C17H20N6O/c1-2-4-14(5-3-1)24-11-10-22-6-8-23(9-7-22)17-15-12-20-21-16(15)18-13-19-17/h1-5,12-13H,6-11H2,(H,18,19,20,21)/p+1