4-oxidanylidene-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide Openeye Name: 4-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclohexanecarboxamide CAS Name: 4-oxo-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1-cyclohexanecarboxamide IUPAC Name: 4-oxo-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide Traditional Name: 4-keto-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]cyclohexanecarboxamide Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CCC1C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1CC(=O)CCC1C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C19H19N5O2S/c25-15-6-4-13(5-7-15)18(26)23-14-3-1-2-12(8-14)10-27-19-16-9-22-24-17(16)20-11-21-19/h1-3,8-9,11,13H,4-7,10H2,(H,23,26)(H,20,21,22,24)