oxidanyl-[9-(phenylmethyl)purin-6-yl]azanium chloride

Systemtic Name: oxidanyl-[9-(phenylmethyl)purin-6-yl]azanium chloride Openeye Name: (9-benzylpurin-6-yl)-hydroxy-ammonium chloride CAS Name: hydroxy-[9-(phenylmethyl)-6-purinyl]ammonium chloride IUPAC Name: (9-benzylpurin-6-yl)-hydroxyazanium chloride Traditional Name: (9-benzylpurin-6-yl)-hydroxy-ammonium chloride Formula: C12H12ClN5O MolecularWeight: 277.70958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3[NH2+]O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3[NH2+]O.[Cl-]

InChI

InChI=1S/C12H11N5O.ClH/c18-16-11-10-12(14-7-13-11)17(8-15-10)6-9-4-2-1-3-5-9;/h1-5,7-8,18H,6H2,(H,13,14,16);1H