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

Systemtic Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C23H25N6O+ MolecularWeight: 401.4842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C23H24N6O/c1-3-7-19(8-4-1)29-23-21(17-26-29)22(24-18-25-23)28-13-11-27(12-14-28)15-16-30-20-9-5-2-6-10-20/h1-10,17-18H,11-16H2/p+1