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

Systemtic Name: 4-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C24H27N6+ MolecularWeight: 399.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5)C

InChI

InChI=1S/C24H26N6/c1-18-8-9-20(19(2)14-18)16-28-10-12-29(13-11-28)23-22-15-27-30(24(22)26-17-25-23)21-6-4-3-5-7-21/h3-9,14-15,17H,10-13,16H2,1-2H3/p+1