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

Systemtic Name: 6-methyl-1-phenethyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenethyl-pyrazolo[3,4-d]pyrimidine CAS Name: 6-methyl-1-phenethyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenethylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1-phenethyl-pyrazolo[3,4-d]pyrimidine Formula: C25H29N6+ MolecularWeight: 413.53796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2CCC3=CC=CC=C3)C(=N1)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C=NN2CCC3=CC=CC=C3)C(=N1)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H28N6/c1-20-27-24(30-16-14-29(15-17-30)19-22-10-6-3-7-11-22)23-18-26-31(25(23)28-20)13-12-21-8-4-2-5-9-21/h2-11,18H,12-17,19H2,1H3/p+1