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

Systemtic Name: 1-[4-[6-(oxan-4-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(1-phenyl-6-tetrahydropyran-4-yl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[6-(4-oxanyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[6-(oxan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(1-phenyl-6-tetrahydropyran-4-yl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-(2-thienyl)ethanone Formula: C26H28N6O2S MolecularWeight: 488.60452

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)N5CCN(CC5)C(=O)CC6=CC=CS6

Isomeric SMILES

C1COCCC1C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)N5CCN(CC5)C(=O)CC6=CC=CS6

InChI

InChI=1S/C26H28N6O2S/c33-23(17-21-7-4-16-35-21)30-10-12-31(13-11-30)25-22-18-27-32(20-5-2-1-3-6-20)26(22)29-24(28-25)19-8-14-34-15-9-19/h1-7,16,18-19H,8-15,17H2