methyl-[9-[[4-(phenylcarbonyl)phenyl]methyl]purin-6-yl]azanium chloride

Systemtic Name: methyl-[9-[[4-(phenylcarbonyl)phenyl]methyl]purin-6-yl]azanium chloride Openeye Name: [9-[(4-benzoylphenyl)methyl]purin-6-yl]-methyl-ammonium chloride CAS Name: [9-[(4-benzoylphenyl)methyl]-6-purinyl]-methylammonium chloride IUPAC Name: [9-[(4-benzoylphenyl)methyl]purin-6-yl]-methylazanium chloride Traditional Name: [9-(4-benzoylbenzyl)purin-6-yl]-methyl-ammonium chloride Formula: C20H18ClN5O MolecularWeight: 379.84282

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)C(=O)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C[NH2+]C1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)C(=O)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C20H17N5O.ClH/c1-21-19-17-20(23-12-22-19)25(13-24-17)11-14-7-9-16(10-8-14)18(26)15-5-3-2-4-6-15;/h2-10,12-13H,11H2,1H3,(H,21,22,23);1H