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

Systemtic Name: 2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide CAS Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O3S/c1-2-8-18-16(26)20-13(24)10-27-17-21-14-12(15(25)22-17)9-19-23(14)11-6-4-3-5-7-11/h2-7,9,19H,1,8,10H2,(H2,18,20,24,26)