(4-tert-butylphenyl)methyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: (4-tert-butylphenyl)methyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: (4-tert-butylphenyl)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-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)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-butylbenzyl) ester Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C20H24N4O3/c1-20(2,3)15-7-5-14(6-8-15)12-27-17(25)9-10-24-13-21-18-16(19(24)26)11-22-23(18)4/h5-8,11,13H,9-10,12H2,1-4H3