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

Systemtic Name: 8-azido-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Openeye Name: 8-azido-7-[(E)-cinnamyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-azido-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione IUPAC Name: 8-azido-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Traditional Name: 8-azido-7-[(E)-cinnamyl]-1,3-dimethyl-xanthine Formula: C16H15N7O2 MolecularWeight: 337.336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N=[N+]=[N-])CC=CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N=[N+]=[N-])C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C16H15N7O2/c1-21-13-12(14(24)22(2)16(21)25)23(15(18-13)19-20-17)10-6-9-11-7-4-3-5-8-11/h3-9H,10H2,1-2H3/b9-6+