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

Systemtic Name: 4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-1H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidine Formula: C17H21N6+ MolecularWeight: 309.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4

InChI

InChI=1S/C17H20N6/c1-13-3-2-4-14(9-13)11-22-5-7-23(8-6-22)17-15-10-20-21-16(15)18-12-19-17/h2-4,9-10,12H,5-8,11H2,1H3,(H,18,19,20,21)/p+1