N-(4,6-dimethylpyridin-2-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

Systemtic Name: N-(4,6-dimethylpyridin-2-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-(4,6-dimethyl-2-pyridyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-(4,6-dimethyl-2-pyridinyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-(4,6-dimethylpyridin-2-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-(4,6-dimethyl-2-pyridyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=NC4=C3C=NN4)C

Isomeric SMILES

CC1=CC(=NC(=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=NC4=C3C=NN4)C

InChI

InChI=1S/C20H18N6OS/c1-12-6-13(2)24-17(7-12)25-19(27)15-5-3-4-14(8-15)10-28-20-16-9-23-26-18(16)21-11-22-20/h3-9,11H,10H2,1-2H3,(H,24,25,27)(H,21,22,23,26)