1-[4-[3-methyl-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-[3-methyl-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-(3-methyl-1-phenyl-6-tetrahydropyran-4-yl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[3-methyl-6-(4-oxanyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[3-methyl-6-(oxan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(3-methyl-1-phenyl-6-tetrahydropyran-4-yl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-(2-thienyl)ethanone Formula: C27H30N6O2S MolecularWeight: 502.6311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC(=N2)C3CCOCC3)N4CCN(CC4)C(=O)CC5=CC=CS5)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)C3CCOCC3)N4CCN(CC4)C(=O)CC5=CC=CS5)C6=CC=CC=C6

InChI

InChI=1S/C27H30N6O2S/c1-19-24-26(32-13-11-31(12-14-32)23(34)18-22-8-5-17-36-22)28-25(20-9-15-35-16-10-20)29-27(24)33(30-19)21-6-3-2-4-7-21/h2-8,17,20H,9-16,18H2,1H3