2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2-phenylbutyl)ethanamide

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2-phenylbutyl)ethanamide Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2-phenylbutyl)acetamide CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-(2-phenylbutyl)acetamide IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(2-phenylbutyl)acetamide Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(2-phenylbutyl)acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CSC1=NC=NC2=C1C=NN2C)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC(=O)CSC1=NC=NC2=C1C=NN2C)C3=CC=CC=C3

InChI

InChI=1S/C18H21N5OS/c1-3-13(14-7-5-4-6-8-14)9-19-16(24)11-25-18-15-10-22-23(2)17(15)20-12-21-18/h4-8,10,12-13H,3,9,11H2,1-2H3,(H,19,24)