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

Systemtic Name: 4-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(4-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(4-ethoxybenzyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C24H27N6O+ MolecularWeight: 415.51078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C24H26N6O/c1-2-31-21-10-8-19(9-11-21)17-28-12-14-29(15-13-28)23-22-16-27-30(24(22)26-18-25-23)20-6-4-3-5-7-20/h3-11,16,18H,2,12-15,17H2,1H3/p+1