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

Systemtic Name: 3-methyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Openeye Name: 7-[(E)-cinnamyl]-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione IUPAC Name: 3-methyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Traditional Name: 7-[(E)-cinnamyl]-3-methyl-xanthine Formula: C15H14N4O2 MolecularWeight: 282.29726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CC=CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C15H14N4O2/c1-18-13-12(14(20)17-15(18)21)19(10-16-13)9-5-8-11-6-3-2-4-7-11/h2-8,10H,9H2,1H3,(H,17,20,21)/b8-5+