ethyl 2-[2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]ethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetyl]amino]acetate Traditional Name: 2-[[2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetyl]amino]acetic acid ethyl ester Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CSC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CNC(=O)CSC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3

InChI

InChI=1S/C17H17N5O4S/c1-2-26-14(24)9-18-13(23)10-27-17-20-15-12(16(25)21-17)8-19-22(15)11-6-4-3-5-7-11/h3-8,19H,2,9-10H2,1H3,(H,18,23)