3-cyano-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide

Systemtic Name: 3-cyano-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Openeye Name: 3-cyano-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide CAS Name: 3-cyano-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide IUPAC Name: 3-cyano-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Traditional Name: 3-cyano-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide Formula: C20H14N6OS MolecularWeight: 386.42976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=CC(=C2)C#N)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=CC(=C2)C#N)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C20H14N6OS/c21-9-13-3-1-5-15(7-13)19(27)25-16-6-2-4-14(8-16)11-28-20-17-10-24-26-18(17)22-12-23-20/h1-8,10,12H,11H2,(H,25,27)(H,22,23,24,26)