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

Systemtic Name: 1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-(2-thienyl)ethanone Formula: C25H28N6OS MolecularWeight: 460.59442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)C(=O)CC5=CC=CS5

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C25H28N6OS/c1-3-8-21-26-24(23-18(2)28-31(25(23)27-21)19-9-5-4-6-10-19)30-14-12-29(13-15-30)22(32)17-20-11-7-16-33-20/h4-7,9-11,16H,3,8,12-15,17H2,1-2H3