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

Systemtic Name: methyl 2-[1-(3,4-dimethylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]propanoate Openeye Name: methyl 2-[1-(3,4-dimethylphenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]propanoate CAS Name: 2-[1-(3,4-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]propanoic acid methyl ester IUPAC Name: methyl 2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]propanoate Traditional Name: 2-[1-(3,4-dimethylphenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]propionic acid methyl ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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