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

Systemtic Name: methyl 4-[2-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzoic acid methyl ester Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H21N5O4/c1-19(2,3)24-16-14(9-21-24)17(26)23(11-20-16)10-15(25)22-13-7-5-12(6-8-13)18(27)28-4/h5-9,11H,10H2,1-4H3,(H,22,25)