3,7-dimethyl-1-[(E)-3-phenylprop-2-enyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Openeye Name: 1-[(E)-cinnamyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-1-[(E)-3-phenylprop-2-enyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Traditional Name: 1-[(E)-cinnamyl]-3,7-dimethyl-xanthine Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC=CC3=CC=CC=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C16H16N4O2/c1-18-11-17-14-13(18)15(21)20(16(22)19(14)2)10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6+