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

Systemtic Name: 6-chloranyl-9-[2-(2,2-dimethyl-1,3-dioxan-5-ylidene)ethyl]-7H-purin-9-ium-2-amine Openeye Name: 6-chloro-9-[2-(2,2-dimethyl-1,3-dioxan-5-ylidene)ethyl]-7H-purin-9-ium-2-amine CAS Name: 6-chloro-9-[2-(2,2-dimethyl-1,3-dioxan-5-ylidene)ethyl]-7H-purin-9-ium-2-amine IUPAC Name: 6-chloro-9-[2-(2,2-dimethyl-1,3-dioxan-5-ylidene)ethyl]-7H-purin-9-ium-2-amine Traditional Name: [6-chloro-9-[2-(2,2-dimethyl-1,3-dioxan-5-ylidene)ethyl]-7H-purin-9-ium-2-yl]amine Formula: C13H17ClN5O2+ MolecularWeight: 310.75938

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(=CC[N+]2=CNC3=C2N=C(N=C3Cl)N)CO1)C

Isomeric SMILES

CC1(OCC(=CC[N+]2=CNC3=C2N=C(N=C3Cl)N)CO1)C

InChI

InChI=1S/C13H16ClN5O2/c1-13(2)20-5-8(6-21-13)3-4-19-7-16-9-10(14)17-12(15)18-11(9)19/h3,7H,4-6H2,1-2H3,(H2,15,17,18)/p+1