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

Systemtic Name: 6-chloranyl-4-(4-cyclohexylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 6-chloro-4-(4-cyclohexylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 6-chloro-4-(4-cyclohexyl-1-piperazin-4-iumyl)-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 6-chloro-4-(4-cyclohexylpiperazin-4-ium-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 6-chloro-4-(4-cyclohexylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C21H26ClN6+ MolecularWeight: 397.92434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN6/c22-21-24-19(27-13-11-26(12-14-27)16-7-3-1-4-8-16)18-15-23-28(20(18)25-21)17-9-5-2-6-10-17/h2,5-6,9-10,15-16H,1,3-4,7-8,11-14H2/p+1