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

Systemtic Name: ethyl 2-[2-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzoate CAS Name: 2-[[2-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzoic acid ethyl ester Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)C=NN3C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)C=NN3C(C)(C)C

InChI

InChI=1S/C20H23N5O4/c1-5-29-19(28)13-8-6-7-9-15(13)23-16(26)11-24-12-21-17-14(18(24)27)10-22-25(17)20(2,3)4/h6-10,12H,5,11H2,1-4H3,(H,23,26)