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

Systemtic Name: N-(6-methylpyridin-3-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-(6-methyl-3-pyridyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-(6-methyl-3-pyridinyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-(6-methylpyridin-3-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-(6-methyl-3-pyridyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C19H16N6OS MolecularWeight: 376.43494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N6OS/c1-12-5-6-15(8-20-12)24-18(26)14-4-2-3-13(7-14)10-27-19-16-9-23-25-17(16)21-11-22-19/h2-9,11H,10H2,1H3,(H,24,26)(H,21,22,23,25)