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

Systemtic Name: 3,7-dimethyl-1-(phenylmethyl)-9H-purin-7-ium-2,6-dione Openeye Name: 1-benzyl-3,7-dimethyl-9H-purin-7-ium-2,6-dione CAS Name: 3,7-dimethyl-1-(phenylmethyl)-9H-purin-7-ium-2,6-dione IUPAC Name: 1-benzyl-3,7-dimethyl-9H-purin-7-ium-2,6-dione Traditional Name: 1-benzyl-3,7-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C14H15N4O2+ MolecularWeight: 271.2945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O2/c1-16-9-15-12-11(16)13(19)18(14(20)17(12)2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/p+1