1-(3,5-dimethylphenyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(3,5-dimethylphenyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(E)-cinnamyl]-1-(3,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(3,5-dimethylphenyl)-5-[(E)-3-phenylprop-2-enyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(3,5-dimethylphenyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[(E)-cinnamyl]-1-(3,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H20N4O MolecularWeight: 356.4204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC=CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=O)N(C=N3)C/C=C/C4=CC=CC=C4)C

InChI

InChI=1S/C22H20N4O/c1-16-11-17(2)13-19(12-16)26-21-20(14-24-26)22(27)25(15-23-21)10-6-9-18-7-4-3-5-8-18/h3-9,11-15H,10H2,1-2H3/b9-6+