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

Systemtic Name: (2,3,6-trimethylphenyl) 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: (2,3,6-trimethylphenyl) 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 (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 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 (2,3,6-trimethylphenyl) ester Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)CCN2C=NC3=C(C2=O)C=NN3C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)CCN2C=NC3=C(C2=O)C=NN3C)C

InChI

InChI=1S/C18H20N4O3/c1-11-5-6-12(2)16(13(11)3)25-15(23)7-8-22-10-19-17-14(18(22)24)9-20-21(17)4/h5-6,9-10H,7-8H2,1-4H3