1-[(4-chlorophenyl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-[(4-chlorophenyl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-[(4-chlorophenyl)methyl]-4-(4-phenethyl-1-piperazin-4-iumyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(4-chlorobenzyl)-4-(4-phenethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C24H26ClN6+ MolecularWeight: 433.95644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C3=NC=NC4=C3C=NN4CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C3=NC=NC4=C3C=NN4CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H25ClN6/c25-21-8-6-20(7-9-21)17-31-24-22(16-28-31)23(26-18-27-24)30-14-12-29(13-15-30)11-10-19-4-2-1-3-5-19/h1-9,16,18H,10-15,17H2/p+1