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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)CCN2C=NC3=C(C2=O)C=NN3C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)CCN2C=NC3=C(C2=O)C=NN3C)C)C(C)(C)C

InChI

InChI=1S/C22H28N4O3/c1-14-9-16(22(3,4)5)10-15(2)18(14)12-29-19(27)7-8-26-13-23-20-17(21(26)28)11-24-25(20)6/h9-11,13H,7-8,12H2,1-6H3