1-(3-oxidanylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone

Systemtic Name: 1-(3-oxidanylpiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Openeye Name: 1-(3-hydroxy-1-piperidyl)-2-phenyl-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone CAS Name: 1-(3-hydroxy-1-piperidinyl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone IUPAC Name: 1-(3-hydroxypiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Traditional Name: 1-(3-hydroxypiperidino)-2-phenyl-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C=NN4)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C=NN4)O

InChI

InChI=1S/C18H19N5O2S/c24-13-7-4-8-22(10-13)17(25)15(12-5-2-1-3-6-12)23-11-19-16-14(18(23)26)9-20-21-16/h1-3,5-6,9,11,13,15,24H,4,7-8,10H2,(H,20,21)