(2,3,6-trimethylphenyl) 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate

Systemtic Name: (2,3,6-trimethylphenyl) 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate Openeye Name: (2,3,6-trimethylphenyl) 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 (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 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 (2,3,6-trimethylphenyl) ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3/c1-10-5-6-11(2)15(12(10)3)24-14(22)8-21-9-18-16-13(17(21)23)7-19-20(16)4/h5-7,9H,8H2,1-4H3