1-(5-bromanylheptyl)-1,3-dimethyl-7H-purin-1-ium-2,6-dione

Systemtic Name: 1-(5-bromanylheptyl)-1,3-dimethyl-7H-purin-1-ium-2,6-dione Openeye Name: 1-(5-bromoheptyl)-1,3-dimethyl-7H-purin-1-ium-2,6-dione CAS Name: 1-(5-bromoheptyl)-1,3-dimethyl-7H-purin-1-ium-2,6-dione IUPAC Name: 1-(5-bromoheptyl)-1,3-dimethyl-7H-purin-1-ium-2,6-dione Traditional Name: 1-(5-bromoheptyl)-1,3-dimethyl-7H-purin-1-ium-2,6-quinone Formula: C14H22BrN4O2+ MolecularWeight: 358.25408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC[N+]1(C(=O)C2=C(N=CN2)N(C1=O)C)C)Br

Isomeric SMILES

CCC(CCCC[N+]1(C(=O)C2=C(N=CN2)N(C1=O)C)C)Br

InChI

InChI=1S/C14H21BrN4O2/c1-4-10(15)7-5-6-8-19(3)13(20)11-12(17-9-16-11)18(2)14(19)21/h9-10H,4-8H2,1-3H3/p+1