N-methyl-3-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-methyl-3-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]benzamide Openeye Name: N-methyl-3-[[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzamide CAS Name: N-methyl-3-[[2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-methyl-3-[[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-methyl-3-[[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]benzamide Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C16H16N6O2S/c1-17-15(24)10-4-3-5-11(6-10)21-13(23)8-25-16-12-7-20-22(2)14(12)18-9-19-16/h3-7,9H,8H2,1-2H3,(H,17,24)(H,21,23)