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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-[(4-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-[(4-chlorophenyl)methyl]-4-(4-cyclopentyl-1-piperazin-4-iumyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(4-chlorobenzyl)-4-(4-cyclopentylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C21H26ClN6+ MolecularWeight: 397.92434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H25ClN6/c22-17-7-5-16(6-8-17)14-28-21-19(13-25-28)20(23-15-24-21)27-11-9-26(10-12-27)18-3-1-2-4-18/h5-8,13,15,18H,1-4,9-12,14H2/p+1