8-chloranyl-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]-4,5-dihydropurine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]-4,5-dihydropurine-2,6-dione Openeye Name: 8-chloro-7-[(E)-cinnamyl]-1,3-dimethyl-4,5-dihydropurine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]-4,5-dihydropurine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]-4,5-dihydropurine-2,6-dione Traditional Name: 8-chloro-7-[(E)-cinnamyl]-1,3-dimethyl-4,5-dihydropurine-2,6-quinone Formula: C16H17ClN4O2 MolecularWeight: 332.78478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC=CC3=CC=CC=C3

Isomeric SMILES

CN1C2C(C(=O)N(C1=O)C)N(C(=N2)Cl)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C16H17ClN4O2/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/h3-9,12-13H,10H2,1-2H3/b9-6+