2-[2,6-bis(oxidanylidene)-3-propyl-purin-7-yl]ethyl-dimethyl-propyl-azanium bromide

Systemtic Name: 2-[2,6-bis(oxidanylidene)-3-propyl-purin-7-yl]ethyl-dimethyl-propyl-azanium bromide Openeye Name: 2-(2,6-dioxo-3-propyl-purin-7-yl)ethyl-dimethyl-propyl-ammonium bromide CAS Name: 2-(2,6-dioxo-3-propyl-7-purinyl)ethyl-dimethyl-propylammonium bromide IUPAC Name: 2-(2,6-dioxo-3-propylpurin-7-yl)ethyl-dimethyl-propylazanium bromide Traditional Name: 2-(2,6-diketo-3-propyl-purin-7-yl)ethyl-dimethyl-propyl-ammonium bromide Formula: C15H26BrN5O2 MolecularWeight: 388.30324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C=N2)CC[N+](C)(C)CCC.[Br-]

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C=N2)CC[N+](C)(C)CCC.[Br-]

InChI

InChI=1S/C15H25N5O2.BrH/c1-5-7-19-13-12(14(21)17-15(19)22)18(11-16-13)8-10-20(3,4)9-6-2;/h11H,5-10H2,1-4H3;1H