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

Systemtic Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-piperidino-ethanone Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H19N5OS/c24-16(22-9-5-2-6-10-22)12-25-18-15-11-21-23(17(15)19-13-20-18)14-7-3-1-4-8-14/h1,3-4,7-8,11,13H,2,5-6,9-10,12H2