methyl-[9-(2-oxidanyl-1-phenyl-ethyl)purin-6-yl]azanium chloride

Systemtic Name: methyl-[9-(2-oxidanyl-1-phenyl-ethyl)purin-6-yl]azanium chloride Openeye Name: [9-(2-hydroxy-1-phenyl-ethyl)purin-6-yl]-methyl-ammonium chloride CAS Name: [9-(2-hydroxy-1-phenylethyl)-6-purinyl]-methylammonium chloride IUPAC Name: [9-(2-hydroxy-1-phenylethyl)purin-6-yl]-methylazanium chloride Traditional Name: [9-(2-hydroxy-1-phenyl-ethyl)purin-6-yl]-methyl-ammonium chloride Formula: C14H16ClN5O MolecularWeight: 305.76274

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1=NC=NC2=C1N=CN2C(CO)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[NH2+]C1=NC=NC2=C1N=CN2C(CO)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C14H15N5O.ClH/c1-15-13-12-14(17-8-16-13)19(9-18-12)11(7-20)10-5-3-2-4-6-10;/h2-6,8-9,11,20H,7H2,1H3,(H,15,16,17);1H