1,3-dimethyl-7-propyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 1,3-dimethyl-7-propyl-9H-purin-7-ium-2,6-dione Openeye Name: 1,3-dimethyl-7-propyl-9H-purin-7-ium-2,6-dione CAS Name: 1,3-dimethyl-7-propyl-9H-purin-7-ium-2,6-dione IUPAC Name: 1,3-dimethyl-7-propyl-9H-purin-7-ium-2,6-dione Traditional Name: 1,3-dimethyl-7-propyl-9H-purin-7-ium-2,6-quinone Formula: C10H15N4O2+ MolecularWeight: 223.2517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CNC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC[N+]1=CNC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C10H14N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h6H,4-5H2,1-3H3/p+1