4-(4-ethylpiperazin-4-ium-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-1-(p-tolylmethyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-1-(4-methylbenzyl)pyrazolo[3,4-d]pyrimidine Formula: C19H25N6+ MolecularWeight: 337.442

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=NC3=C2C=NN3CC4=CC=C(C=C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=NC3=C2C=NN3CC4=CC=C(C=C4)C

InChI

InChI=1S/C19H24N6/c1-3-23-8-10-24(11-9-23)18-17-12-22-25(19(17)21-14-20-18)13-16-6-4-15(2)5-7-16/h4-7,12,14H,3,8-11,13H2,1-2H3/p+1