7-ethyl-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione

Systemtic Name: 7-ethyl-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Openeye Name: 7-ethyl-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-(4-methyl-1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Traditional Name: 7-ethyl-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)xanthine Formula: C13H21N6O2+ MolecularWeight: 293.34484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CC[NH+](CC3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1N3CC[NH+](CC3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H20N6O2/c1-4-19-9-10(17(3)13(21)15-11(9)20)14-12(19)18-7-5-16(2)6-8-18/h4-8H2,1-3H3,(H,15,20,21)/p+1