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

Systemtic Name: 1-(4-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(E)-cinnamyl]-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(4-methylphenyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[(E)-cinnamyl]-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H18N4O MolecularWeight: 342.39382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O/c1-16-9-11-18(12-10-16)25-20-19(14-23-25)21(26)24(15-22-20)13-5-8-17-6-3-2-4-7-17/h2-12,14-15H,13H2,1H3/b8-5+