2-[[1-(3-chlorophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[[1-(3-chlorophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[[1-(3-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[[1-(3-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[[1-(3-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-prop-2-ynylacetamide Traditional Name: 2-[[1-(3-chlorophenyl)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-propargyl-acetamide Formula: C16H12ClN5O2S MolecularWeight: 373.81678

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CSC1=NC(=O)C2=CNN(C2=N1)C3=CC(=CC=C3)Cl

Isomeric SMILES

C#CCNC(=O)CSC1=NC(=O)C2=CNN(C2=N1)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H12ClN5O2S/c1-2-6-18-13(23)9-25-16-20-14-12(15(24)21-16)8-19-22(14)11-5-3-4-10(17)7-11/h1,3-5,7-8,19H,6,9H2,(H,18,23)