2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-(2-thienyl)ethanone CAS Name: 2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-1-(2-thienyl)ethanone Formula: C16H18N6OS MolecularWeight: 342.41872

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(=O)C4=CC=CS4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(=O)C4=CC=CS4

InChI

InChI=1S/C16H18N6OS/c1-20-15-12(9-19-20)16(18-11-17-15)22-6-4-21(5-7-22)10-13(23)14-3-2-8-24-14/h2-3,8-9,11H,4-7,10H2,1H3