6-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C23H24N7O2+ MolecularWeight: 430.48236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

InChI

InChI=1S/C23H23N7O2/c31-21(29-14-12-28(13-15-29)20-8-4-5-11-24-20)10-9-19-26-22-18(23(32)27-19)16-25-30(22)17-6-2-1-3-7-17/h1-8,11,16,25H,9-10,12-15H2/p+1