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

Systemtic Name: [(E)-3-phenylprop-2-enyl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: [(E)-cinnamyl] 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 [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] 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 [(E)-cinnamyl] ester Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OCC=CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O3/c1-21-17-15(12-20-21)18(24)22(13-19-17)10-9-16(23)25-11-5-8-14-6-3-2-4-7-14/h2-8,12-13H,9-11H2,1H3/b8-5+