1,3-dimethyl-7-(3-phenylprop-2-enyl)-9H-purin-7-ium-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-phenylprop-2-enyl)-9H-purin-7-ium-2,6-dione Openeye Name: 7-cinnamyl-1,3-dimethyl-9H-purin-7-ium-2,6-dione CAS Name: 1,3-dimethyl-7-(3-phenylprop-2-enyl)-9H-purin-7-ium-2,6-dione IUPAC Name: 1,3-dimethyl-7-(3-phenylprop-2-enyl)-9H-purin-7-ium-2,6-dione Traditional Name: 7-cinnamyl-1,3-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C16H17N4O2+ MolecularWeight: 297.33178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC=CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC=CC3=CC=CC=C3

InChI

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