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

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetate CAS Name: 2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)acetic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetate Traditional Name: 2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)CN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)CN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C19H22N4O3/c1-12-8-13(19(2,3)4)6-7-15(12)26-16(24)10-23-11-20-17-14(18(23)25)9-21-22(17)5/h6-9,11H,10H2,1-5H3