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

Systemtic Name: 1-[4-[3-methyl-1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(6-benzyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[3-methyl-1-phenyl-6-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-(6-benzyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(6-benzyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-(2-thienyl)ethanone Formula: C29H28N6OS MolecularWeight: 508.63722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC(=N2)CC3=CC=CC=C3)N4CCN(CC4)C(=O)CC5=CC=CS5)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)CC3=CC=CC=C3)N4CCN(CC4)C(=O)CC5=CC=CS5)C6=CC=CC=C6

InChI

InChI=1S/C29H28N6OS/c1-21-27-28(34-16-14-33(15-17-34)26(36)20-24-13-8-18-37-24)30-25(19-22-9-4-2-5-10-22)31-29(27)35(32-21)23-11-6-3-7-12-23/h2-13,18H,14-17,19-20H2,1H3