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

Systemtic Name: 1,3-dimethyl-1-(5-oxidanylhexyl)-7H-purin-1-ium-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-1,3-dimethyl-7H-purin-1-ium-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-1,3-dimethyl-7H-purin-1-ium-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-1,3-dimethyl-7H-purin-1-ium-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-1,3-dimethyl-7H-purin-1-ium-2,6-quinone Formula: C13H21N4O3+ MolecularWeight: 281.33084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17(3)12(19)10-11(15-8-14-10)16(2)13(17)20/h8-9,18H,4-7H2,1-3H3/p+1