5-naphthalen-1-yl-6-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-naphthalen-1-yl-6-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(1-naphthyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(1-naphthalenyl)-6-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-naphthalen-1-yl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-5-(1-naphthyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C27H24N6O2S MolecularWeight: 496.58346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C27H24N6O2S/c34-24(32-15-13-31(14-16-32)20-9-2-1-3-10-20)18-36-27-29-25-22(17-28-30-25)26(35)33(27)23-12-6-8-19-7-4-5-11-21(19)23/h1-12,17H,13-16,18H2,(H,28,30)