N,N-diethyl-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-6-amine

Systemtic Name: N,N-diethyl-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-6-amine Openeye Name: N,N-diethyl-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-6-amine CAS Name: N,N-diethyl-1-phenyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-6-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N,N-diethyl-1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-6-amine Traditional Name: diethyl-[1-phenyl-4-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C24H29N8+ MolecularWeight: 429.54066

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CCN(CC)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H28N8/c1-3-29(4-2)24-27-22(31-16-14-30(15-17-31)21-12-8-9-13-25-21)20-18-26-32(23(20)28-24)19-10-6-5-7-11-19/h5-13,18H,3-4,14-17H2,1-2H3/p+1