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

Systemtic Name: 4-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(4-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(4-ethoxybenzyl)piperazin-4-ium-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C19H25N6O+ MolecularWeight: 353.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C19H24N6O/c1-3-26-16-6-4-15(5-7-16)13-24-8-10-25(11-9-24)19-17-12-22-23(2)18(17)20-14-21-19/h4-7,12,14H,3,8-11,13H2,1-2H3/p+1