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

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Openeye Name: 8-bromo-7-[(E)-cinnamyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Traditional Name: 8-bromo-7-[(E)-cinnamyl]-1,3-dimethyl-xanthine Formula: C16H15BrN4O2 MolecularWeight: 375.2199

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC=CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C16H15BrN4O2/c1-19-13-12(14(22)20(2)16(19)23)21(15(17)18-13)10-6-9-11-7-4-3-5-8-11/h3-9H,10H2,1-2H3/b9-6+