methyl-[9-[[4-(phenylcarbonyl)phenyl]methyl]-2-propyl-purin-6-yl]azanium chloride

Systemtic Name: methyl-[9-[[4-(phenylcarbonyl)phenyl]methyl]-2-propyl-purin-6-yl]azanium chloride Openeye Name: [9-[(4-benzoylphenyl)methyl]-2-propyl-purin-6-yl]-methyl-ammonium chloride CAS Name: [9-[(4-benzoylphenyl)methyl]-2-propyl-6-purinyl]-methylammonium chloride IUPAC Name: [9-[(4-benzoylphenyl)methyl]-2-propylpurin-6-yl]-methylazanium chloride Traditional Name: [9-(4-benzoylbenzyl)-2-propyl-purin-6-yl]-methyl-ammonium chloride Formula: C23H24ClN5O MolecularWeight: 421.92256

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=N1)[NH2+]C)N=CN2CC3=CC=C(C=C3)C(=O)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCCC1=NC2=C(C(=N1)[NH2+]C)N=CN2CC3=CC=C(C=C3)C(=O)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C23H23N5O.ClH/c1-3-7-19-26-22(24-2)20-23(27-19)28(15-25-20)14-16-10-12-18(13-11-16)21(29)17-8-5-4-6-9-17;/h4-6,8-13,15H,3,7,14H2,1-2H3,(H,24,26,27);1H