1,3,9-trimethyl-7-phenacyl-purin-9-ium-2,6-dione

Systemtic Name: 1,3,9-trimethyl-7-phenacyl-purin-9-ium-2,6-dione Openeye Name: 1,3,9-trimethyl-7-phenacyl-purin-9-ium-2,6-dione CAS Name: 1,3,9-trimethyl-7-phenacylpurin-9-ium-2,6-dione IUPAC Name: 1,3,9-trimethyl-7-phenacylpurin-9-ium-2,6-dione Traditional Name: 1,3,9-trimethyl-7-phenacyl-purin-9-ium-2,6-quinone Formula: C16H17N4O3+ MolecularWeight: 313.33118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=[N+]2C)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=[N+]2C)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H17N4O3/c1-17-10-20(9-12(21)11-7-5-4-6-8-11)13-14(17)18(2)16(23)19(3)15(13)22/h4-8,10H,9H2,1-3H3/q+1