6-(methoxyamino)-9-methyl-7-(phenylmethyl)purin-9-ium-2-olate

Systemtic Name: 6-(methoxyamino)-9-methyl-7-(phenylmethyl)purin-9-ium-2-olate Openeye Name: 7-benzyl-6-(methoxyamino)-9-methyl-purin-9-ium-2-olate CAS Name: 6-(methoxyamino)-9-methyl-7-(phenylmethyl)-2-purin-9-iumolate IUPAC Name: 7-benzyl-6-(methoxyamino)-9-methylpurin-9-ium-2-olate Traditional Name: 7-benzyl-6-(methoxyamino)-9-methyl-purin-9-ium-2-olate Formula: C14H15N5O2 MolecularWeight: 285.3012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O2/c1-18-9-19(8-10-6-4-3-5-7-10)11-12(17-21-2)15-14(20)16-13(11)18/h3-7,9H,8H2,1-2H3,(H-,15,16,17,20)