1-[(2-chlorophenyl)methyl]-4-(4-cyclohexylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-[(2-chlorophenyl)methyl]-4-(4-cyclohexylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-[(2-chlorophenyl)methyl]-4-(4-cyclohexylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-[(2-chlorophenyl)methyl]-4-(4-cyclohexyl-1-piperazin-4-iumyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-[(2-chlorophenyl)methyl]-4-(4-cyclohexylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(2-chlorobenzyl)-4-(4-cyclohexylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C22H28ClN6+ MolecularWeight: 411.95092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4CC5=CC=CC=C5Cl

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4CC5=CC=CC=C5Cl

InChI

InChI=1S/C22H27ClN6/c23-20-9-5-4-6-17(20)15-29-22-19(14-26-29)21(24-16-25-22)28-12-10-27(11-13-28)18-7-2-1-3-8-18/h4-6,9,14,16,18H,1-3,7-8,10-13,15H2/p+1