2-oxidanyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclopentane-1-carboxamide

Systemtic Name: 2-oxidanyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclopentane-1-carboxamide Openeye Name: 2-hydroxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclopentanecarboxamide CAS Name: 2-hydroxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1-cyclopentanecarboxamide IUPAC Name: 2-hydroxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclopentane-1-carboxamide Traditional Name: 2-hydroxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]cyclopentanecarboxamide Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)O)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1CC(C(C1)O)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

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