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

Systemtic Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)-1-(p-tolylmethyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-(4-cyclopentyl-1-piperazin-4-iumyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)-1-(4-methylbenzyl)pyrazolo[3,4-d]pyrimidine Formula: C22H29N6+ MolecularWeight: 377.50586

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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)C5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)N4CC[NH+](CC4)C5CCCC5

InChI

InChI=1S/C22H28N6/c1-17-6-8-18(9-7-17)15-28-22-20(14-25-28)21(23-16-24-22)27-12-10-26(11-13-27)19-4-2-3-5-19/h6-9,14,16,19H,2-5,10-13,15H2,1H3/p+1