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

Systemtic Name: 1-[4-[1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[1-phenyl-6-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-(6-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-(6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-(phenylthio)ethanone Formula: C30H28N6OS MolecularWeight: 520.64792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5)C(=O)CSC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5)C(=O)CSC6=CC=CC=C6

InChI

InChI=1S/C30H28N6OS/c37-28(22-38-25-14-8-3-9-15-25)34-16-18-35(19-17-34)29-26-21-31-36(24-12-6-2-7-13-24)30(26)33-27(32-29)20-23-10-4-1-5-11-23/h1-15,21H,16-20,22H2