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

Systemtic Name: 6-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[3-oxo-3-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[3-oxo-3-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[3-keto-3-[4-(2-thenyl)piperazin-4-ium-1-yl]propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C23H25N6O2S+ MolecularWeight: 449.5486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)CCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)CCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

InChI

InChI=1S/C23H24N6O2S/c30-21(28-12-10-27(11-13-28)16-18-7-4-14-32-18)9-8-20-25-22-19(23(31)26-20)15-24-29(22)17-5-2-1-3-6-17/h1-7,14-15,24H,8-13,16H2/p+1