1-[2-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethoxy]phenyl]ethanone

Systemtic Name: 1-[2-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethoxy]phenyl]ethanone Openeye Name: 1-[2-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethoxy]phenyl]ethanone CAS Name: 1-[2-[2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethoxy]phenyl]ethanone IUPAC Name: 1-[2-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethoxy]phenyl]ethanone Traditional Name: 1-[2-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethoxy]phenyl]ethanone Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCCSC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CC(=O)C1=CC=CC=C1OCCSC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C16H16N4O2S/c1-11(21)12-5-3-4-6-14(12)22-7-8-23-16-13-9-19-20(2)15(13)17-10-18-16/h3-6,9-10H,7-8H2,1-2H3