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

Systemtic Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclohex-2-ene-1-carboxamide Openeye Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclohex-2-ene-1-carboxamide CAS Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1-cyclohex-2-enecarboxamide IUPAC Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]cyclohex-2-ene-1-carboxamide Traditional Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]cyclohex-2-ene-1-carboxamide Formula: C19H19N5OS MolecularWeight: 365.45206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5OS/c25-18(14-6-2-1-3-7-14)23-15-8-4-5-13(9-15)11-26-19-16-10-22-24-17(16)20-12-21-19/h2,4-6,8-10,12,14H,1,3,7,11H2,(H,23,25)(H,20,21,22,24)