4-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]phenyl]sulfonylmorpholine Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C22H21N5O3S2/c28-32(29,26-9-11-30-12-10-26)19-8-4-5-17(13-19)15-31-22-20-14-25-27(21(20)23-16-24-22)18-6-2-1-3-7-18/h1-8,13-14,16H,9-12,15H2