4-(4-cyclohexylpiperazin-4-ium-1-yl)-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-benzyl-4-(4-cyclohexylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-(4-cyclohexyl-1-piperazin-4-iumyl)-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-benzyl-4-(4-cyclohexylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-benzyl-4-(4-cyclohexylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C22H29N6+ MolecularWeight: 377.50586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4CC5=CC=CC=C5

InChI

InChI=1S/C22H28N6/c1-3-7-18(8-4-1)16-28-22-20(15-25-28)21(23-17-24-22)27-13-11-26(12-14-27)19-9-5-2-6-10-19/h1,3-4,7-8,15,17,19H,2,5-6,9-14,16H2/p+1