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

Systemtic Name: 1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-(phenylthio)ethanone Formula: C27H30N6OS MolecularWeight: 486.6317

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N6OS/c1-3-10-23-28-26(25-20(2)30-33(27(25)29-23)21-11-6-4-7-12-21)32-17-15-31(16-18-32)24(34)19-35-22-13-8-5-9-14-22/h4-9,11-14H,3,10,15-19H2,1-2H3