2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-prop-2-ynylacetamide IUPAC Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-propargyl-acetamide Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3

Isomeric SMILES

C#CCNC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3

InChI

InChI=1S/C16H13N5OS/c1-2-8-17-14(22)10-23-16-13-9-20-21(15(13)18-11-19-16)12-6-4-3-5-7-12/h1,3-7,9,11H,8,10H2,(H,17,22)