2-(3,5-dimethylphenoxy)ethyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 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 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 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 2-(3,5-dimethylphenoxy)ethyl ester Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)CCN2C=NC3=C(C2=O)C=NN3C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)CCN2C=NC3=C(C2=O)C=NN3C)C

InChI

InChI=1S/C19H22N4O4/c1-13-8-14(2)10-15(9-13)26-6-7-27-17(24)4-5-23-12-20-18-16(19(23)25)11-21-22(18)3/h8-12H,4-7H2,1-3H3