1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-(1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-(1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-(phenylthio)ethanone Formula: C26H28N6OS MolecularWeight: 472.60512

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)CSC5=CC=CC=C5

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)CSC5=CC=CC=C5

InChI

InChI=1S/C26H28N6OS/c1-2-9-23-28-25(22-18-27-32(26(22)29-23)20-10-5-3-6-11-20)31-16-14-30(15-17-31)24(33)19-34-21-12-7-4-8-13-21/h3-8,10-13,18H,2,9,14-17,19H2,1H3