9-methyl-1-[(2-methylphenyl)methoxy]purin-1-ium-6-amine

Systemtic Name: 9-methyl-1-[(2-methylphenyl)methoxy]purin-1-ium-6-amine Openeye Name: 9-methyl-1-(o-tolylmethoxy)purin-1-ium-6-amine CAS Name: 9-methyl-1-[(2-methylphenyl)methoxy]-6-purin-1-iumamine IUPAC Name: 9-methyl-1-[(2-methylphenyl)methoxy]purin-1-ium-6-amine Traditional Name: [9-methyl-1-(2-methylbenzyl)oxy-purin-1-ium-6-yl]amine Formula: C14H16N5O+ MolecularWeight: 270.30974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CO[N+]2=C(C3=C(N=C2)N(C=N3)C)N

Isomeric SMILES

CC1=CC=CC=C1CO[N+]2=C(C3=C(N=C2)N(C=N3)C)N

InChI

InChI=1S/C14H15N5O/c1-10-5-3-4-6-11(10)7-20-19-9-17-14-12(13(19)15)16-8-18(14)2/h3-6,8-9,15H,7H2,1-2H3/p+1