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

Systemtic Name: ethyl 2-[3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]ethanoate Openeye Name: ethyl 2-[3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]acetate CAS Name: 2-[[3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]acetate Traditional Name: 2-[3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]acetic acid ethyl ester Formula: C16H23N5O4 MolecularWeight: 349.38492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CCN1C=NC2=C(C1=O)C=NN2C(C)(C)C

Isomeric SMILES

CCOC(=O)CNC(=O)CCN1C=NC2=C(C1=O)C=NN2C(C)(C)C

InChI

InChI=1S/C16H23N5O4/c1-5-25-13(23)9-17-12(22)6-7-20-10-18-14-11(15(20)24)8-19-21(14)16(2,3)4/h8,10H,5-7,9H2,1-4H3,(H,17,22)