ethyl 2-[3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]ethanoate

Systemtic Name: ethyl 2-[3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]ethanoate Openeye Name: ethyl 2-[3-(1-tert-butyl-6-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]acetate CAS Name: 2-[[3-(1-tert-butyl-6-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(1-tert-butyl-6-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]acetate Traditional Name: 2-[3-(1-tert-butyl-4-keto-6-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]acetic acid ethyl ester Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O4/c1-6-26-14(24)10-18-13(23)7-8-21-11(2)20-15-12(16(21)25)9-19-22(15)17(3,4)5/h9H,6-8,10H2,1-5H3,(H,18,23)