2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-[4-(1-piperidylsulfonyl)phenyl]ethanone CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-[4-(1-piperidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-(4-piperidinosulfonylphenyl)ethanone Formula: C24H23N5O3S2 MolecularWeight: 493.60112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C24H23N5O3S2/c30-22(18-9-11-20(12-10-18)34(31,32)28-13-5-2-6-14-28)16-33-24-21-15-27-29(23(21)25-17-26-24)19-7-3-1-4-8-19/h1,3-4,7-12,15,17H,2,5-6,13-14,16H2