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

Systemtic Name: N-methyl-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-methyl-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-methyl-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-methyl-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-methyl-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C14H13N5OS MolecularWeight: 299.35092

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)CSC2=NC=NC3=C2C=NN3

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)CSC2=NC=NC3=C2C=NN3

InChI

InChI=1S/C14H13N5OS/c1-15-13(20)10-4-2-3-9(5-10)7-21-14-11-6-18-19-12(11)16-8-17-14/h2-6,8H,7H2,1H3,(H,15,20)(H,16,17,18,19)