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

Systemtic Name: (phenylmethyl) 2-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate Openeye Name: benzyl 2-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetate CAS Name: 2-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetate Traditional Name: 2-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid benzyl ester Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O3/c1-18(2,3)22-16-14(9-20-22)17(24)21(12-19-16)10-15(23)25-11-13-7-5-4-6-8-13/h4-9,12H,10-11H2,1-3H3