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

Systemtic Name: N-(2-methoxyethylcarbamoyl)-2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide Openeye Name: N-(2-methoxyethylcarbamoyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide CAS Name: N-[(2-methoxyethylamino)-oxomethyl]-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide IUPAC Name: N-(2-methoxyethylcarbamoyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide Traditional Name: 2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-(2-methoxyethylcarbamoyl)acetamide Formula: C17H18N6O4S MolecularWeight: 402.42762

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)NC(=O)CSC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3

Isomeric SMILES

COCCNC(=O)NC(=O)CSC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3

InChI

InChI=1S/C17H18N6O4S/c1-27-8-7-18-16(26)20-13(24)10-28-17-21-14-12(15(25)22-17)9-19-23(14)11-5-3-2-4-6-11/h2-6,9,19H,7-8,10H2,1H3,(H2,18,20,24,26)