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

Systemtic Name: 1-[4-[3-methyl-6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(6-isobutyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[3-methyl-6-(2-methylpropyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[3-methyl-6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(6-isobutyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-(2-thienyl)ethanone Formula: C26H30N6OS MolecularWeight: 474.621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC(=N2)CC(C)C)N3CCN(CC3)C(=O)CC4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)CC(C)C)N3CCN(CC3)C(=O)CC4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C26H30N6OS/c1-18(2)16-22-27-25(24-19(3)29-32(26(24)28-22)20-8-5-4-6-9-20)31-13-11-30(12-14-31)23(33)17-21-10-7-15-34-21/h4-10,15,18H,11-14,16-17H2,1-3H3