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

Systemtic Name: 2-phenyl-1-piperidin-1-yl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Openeye Name: 2-phenyl-1-(1-piperidyl)-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone CAS Name: 2-phenyl-1-(1-piperidinyl)-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone IUPAC Name: 2-phenyl-1-piperidin-1-yl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Traditional Name: 2-phenyl-1-piperidino-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C=NN4

Isomeric SMILES

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C=NN4

InChI

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