2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-N-[2-(methylthio)phenyl]acetamide Formula: C19H23N7OS MolecularWeight: 397.49722

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(=O)NC4=CC=CC=C4SC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(=O)NC4=CC=CC=C4SC

InChI

InChI=1S/C19H23N7OS/c1-24-18-14(11-22-24)19(21-13-20-18)26-9-7-25(8-10-26)12-17(27)23-15-5-3-4-6-16(15)28-2/h3-6,11,13H,7-10,12H2,1-2H3,(H,23,27)