N-(3-chloranyl-4-cyano-phenyl)-2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]propionamide Formula: C21H15ClN6O2S MolecularWeight: 450.9008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)SC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)SC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C21H15ClN6O2S/c1-12(19(29)25-14-8-7-13(10-23)17(22)9-14)31-21-26-18-16(20(30)27-21)11-24-28(18)15-5-3-2-4-6-15/h2-9,11-12,24H,1H3,(H,25,29)