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

Systemtic Name: 7-methyl-3-(phenylmethyl)-9H-purin-7-ium-2,6-dione Openeye Name: 3-benzyl-7-methyl-9H-purin-7-ium-2,6-dione CAS Name: 7-methyl-3-(phenylmethyl)-9H-purin-7-ium-2,6-dione IUPAC Name: 3-benzyl-7-methyl-9H-purin-7-ium-2,6-dione Traditional Name: 3-benzyl-7-methyl-9H-purin-7-ium-2,6-quinone Formula: C13H13N4O2+ MolecularWeight: 257.26792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CNC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

C[N+]1=CNC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C13H12N4O2/c1-16-8-14-11-10(16)12(18)15-13(19)17(11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,18,19)/p+1