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

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-phenethyl-acetamide CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-phenethylacetamide IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-phenethyl-acetamide Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C16H17N5OS/c1-21-15-13(9-20-21)16(19-11-18-15)23-10-14(22)17-8-7-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3,(H,17,22)