9-[2-(2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-7H-purin-9-ium-2-amine

Systemtic Name: 9-[2-(2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-7H-purin-9-ium-2-amine Openeye Name: 9-[2-(2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-7H-purin-9-ium-2-amine CAS Name: 9-[2-(2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-7H-purin-9-ium-2-amine IUPAC Name: 9-[2-(2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-7H-purin-9-ium-2-amine Traditional Name: [9-[2-(2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-7H-purin-9-ium-2-yl]amine Formula: C13H20N5O2+ MolecularWeight: 278.3302

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CC[N+]2=CNC3=CN=C(N=C32)N)C

Isomeric SMILES

CC1(OCC(CO1)CC[N+]2=CNC3=CN=C(N=C32)N)C

InChI

InChI=1S/C13H19N5O2/c1-13(2)19-6-9(7-20-13)3-4-18-8-16-10-5-15-12(14)17-11(10)18/h5,8-9H,3-4,6-7H2,1-2H3,(H2,14,15,17)/p+1