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

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 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 (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 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 (5-acetyl-2-ethoxy-benzyl) ester Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C20H22N4O5/c1-4-28-17-6-5-14(13(2)25)9-15(17)11-29-18(26)7-8-24-12-21-19-16(20(24)27)10-22-23(19)3/h5-6,9-10,12H,4,7-8,11H2,1-3H3