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

Systemtic Name: 2-[[1-(4-chlorophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[[1-(4-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[[1-(4-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[[1-(4-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[[1-(4-chlorophenyl)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-isopropyl-acetamide Formula: C16H16ClN5O2S MolecularWeight: 377.84854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN5O2S/c1-9(2)19-13(23)8-25-16-20-14-12(15(24)21-16)7-18-22(14)11-5-3-10(17)4-6-11/h3-7,9,18H,8H2,1-2H3,(H,19,23)