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

Systemtic Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(4-cyclohexyl-1-piperazin-4-iumyl)-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C21H27N6+ MolecularWeight: 363.47928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H26N6/c1-3-7-17(8-4-1)25-11-13-26(14-12-25)20-19-15-24-27(21(19)23-16-22-20)18-9-5-2-6-10-18/h2,5-6,9-10,15-17H,1,3-4,7-8,11-14H2/p+1