2-chloranyl-N-methoxy-9-methyl-7-(phenylmethyl)purin-9-ium-6-amine

Systemtic Name: 2-chloranyl-N-methoxy-9-methyl-7-(phenylmethyl)purin-9-ium-6-amine Openeye Name: 7-benzyl-2-chloro-N-methoxy-9-methyl-purin-9-ium-6-amine CAS Name: 2-chloro-N-methoxy-9-methyl-7-(phenylmethyl)-6-purin-9-iumamine IUPAC Name: 7-benzyl-2-chloro-N-methoxy-9-methylpurin-9-ium-6-amine Traditional Name: (7-benzyl-2-chloro-9-methyl-purin-9-ium-6-yl)-methoxy-amine Formula: C14H15ClN5O+ MolecularWeight: 304.7548

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=C1N=C(N=C2NOC)Cl)CC3=CC=CC=C3

Isomeric SMILES

C[N+]1=CN(C2=C1N=C(N=C2NOC)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C14H15ClN5O/c1-19-9-20(8-10-6-4-3-5-7-10)11-12(18-21-2)16-14(15)17-13(11)19/h3-7,9H,8H2,1-2H3,(H,16,17,18)/q+1