1,3,9-trimethyl-7-(phenylmethyl)purin-9-ium-2,6-dione

Systemtic Name: 1,3,9-trimethyl-7-(phenylmethyl)purin-9-ium-2,6-dione Openeye Name: 7-benzyl-1,3,9-trimethyl-purin-9-ium-2,6-dione CAS Name: 1,3,9-trimethyl-7-(phenylmethyl)purin-9-ium-2,6-dione IUPAC Name: 7-benzyl-1,3,9-trimethylpurin-9-ium-2,6-dione Traditional Name: 7-benzyl-1,3,9-trimethyl-purin-9-ium-2,6-quinone Formula: C15H17N4O2+ MolecularWeight: 285.32108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=[N+]2C)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=[N+]2C)CC3=CC=CC=C3

InChI

InChI=1S/C15H17N4O2/c1-16-10-19(9-11-7-5-4-6-8-11)12-13(16)17(2)15(21)18(3)14(12)20/h4-8,10H,9H2,1-3H3/q+1