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

Systemtic Name: methyl 2-[3-(1-tert-butyl-6-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate Openeye Name: methyl 2-[3-(1-tert-butyl-6-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate CAS Name: 2-[[3-(1-tert-butyl-6-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(1-tert-butyl-6-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate Traditional Name: 2-[3-(1-tert-butyl-4-keto-6-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoic acid methyl ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(C)(C)C)C(=O)N1CCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=NC2=C(C=NN2C(C)(C)C)C(=O)N1CCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H25N5O4/c1-13-23-18-15(12-22-26(18)21(2,3)4)19(28)25(13)11-10-17(27)24-16-9-7-6-8-14(16)20(29)30-5/h6-9,12H,10-11H2,1-5H3,(H,24,27)