1-methyl-1-(2-methylpropyl)-3,7-dihydropurin-1-ium-2,6-dione

Systemtic Name: 1-methyl-1-(2-methylpropyl)-3,7-dihydropurin-1-ium-2,6-dione Openeye Name: 1-isobutyl-1-methyl-3,7-dihydropurin-1-ium-2,6-dione CAS Name: 1-methyl-1-(2-methylpropyl)-3,7-dihydropurin-1-ium-2,6-dione IUPAC Name: 1-methyl-1-(2-methylpropyl)-3,7-dihydropurin-1-ium-2,6-dione Traditional Name: 1-isobutyl-1-methyl-3,7-dihydropurin-1-ium-2,6-quinone Formula: C10H15N4O2+ MolecularWeight: 223.2517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]1(C(=O)C2=C(NC1=O)N=CN2)C

Isomeric SMILES

CC(C)C[N+]1(C(=O)C2=C(NC1=O)N=CN2)C

InChI

InChI=1S/C10H14N4O2/c1-6(2)4-14(3)9(15)7-8(12-5-11-7)13-10(14)16/h5-6H,4H2,1-3H3,(H-,11,12,13,15,16)/p+1