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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)[N+](C=N2)(C)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)[N+](C=N2)(C)CC3=CC=CC=C3

InChI

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