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

Systemtic Name: N-(3-cyanophenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-(3-cyanophenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-(3-cyanophenyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-(3-cyanophenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-(3-cyanophenyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]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)CSC3=NC=NC4=C3C=NN4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H14N6OS/c21-9-13-3-2-6-16(8-13)25-19(27)15-5-1-4-14(7-15)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)