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

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C19H22N6O2S MolecularWeight: 398.48198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O2S/c1-23-18-16(11-22-23)19(21-13-20-18)28-12-17(26)25-9-7-24(8-10-25)14-3-5-15(27-2)6-4-14/h3-6,11,13H,7-10,12H2,1-2H3