ethyl 2-[3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]ethanoate

Systemtic Name: ethyl 2-[3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]ethanoate Openeye Name: ethyl 2-[3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]acetate CAS Name: 2-[[1-oxo-3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]acetate Traditional Name: 2-[3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]acetic acid ethyl ester Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CCN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CNC(=O)CCN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3

InChI

InChI=1S/C18H19N5O4/c1-2-27-16(25)11-19-15(24)8-9-22-12-20-17-14(18(22)26)10-21-23(17)13-6-4-3-5-7-13/h3-7,10,12H,2,8-9,11H2,1H3,(H,19,24)