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

Systemtic Name: 1-[(4-methylphenyl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-phenethylpiperazin-4-ium-1-yl)-1-(p-tolylmethyl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-[(4-methylphenyl)methyl]-4-(4-phenethyl-1-piperazin-4-iumyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-[(4-methylphenyl)methyl]-4-(4-phenethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(4-methylbenzyl)-4-(4-phenethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C25H29N6+ MolecularWeight: 413.53796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)N4CC[NH+](CC4)CCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)N4CC[NH+](CC4)CCC5=CC=CC=C5

InChI

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