6-[[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]hexylazanium

Systemtic Name: 6-[[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]hexylazanium Openeye Name: 6-[(3,7-dimethyl-2,6-dioxo-purin-8-yl)amino]hexylammonium CAS Name: 6-[(3,7-dimethyl-2,6-dioxo-8-purinyl)amino]hexylammonium IUPAC Name: 6-[(3,7-dimethyl-2,6-dioxopurin-8-yl)amino]hexylazanium Traditional Name: 6-[(2,6-diketo-3,7-dimethyl-purin-8-yl)amino]hexylammonium Formula: C13H23N6O2+ MolecularWeight: 295.36072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCCCC[NH3+])N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1NCCCCCC[NH3+])N(C(=O)NC2=O)C

InChI

InChI=1S/C13H22N6O2/c1-18-9-10(19(2)13(21)17-11(9)20)16-12(18)15-8-6-4-3-5-7-14/h3-8,14H2,1-2H3,(H,15,16)(H,17,20,21)/p+1