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

Systemtic Name: methyl 2-[1-(2,4-dimethylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanoate Openeye Name: methyl 2-[1-(2,4-dimethylphenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetate CAS Name: 2-[1-(2,4-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate Traditional Name: 2-[1-(2,4-dimethylphenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]acetic acid methyl ester Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)OC)C

InChI

InChI=1S/C16H16N4O3/c1-10-4-5-13(11(2)6-10)20-15-12(7-18-20)16(22)19(9-17-15)8-14(21)23-3/h4-7,9H,8H2,1-3H3