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

Systemtic Name: [9-[(4-chlorophenyl)methyl]purin-6-yl]-methyl-azanium chloride Openeye Name: [9-[(4-chlorophenyl)methyl]purin-6-yl]-methyl-ammonium chloride CAS Name: [9-[(4-chlorophenyl)methyl]-6-purinyl]-methylammonium chloride IUPAC Name: [9-[(4-chlorophenyl)methyl]purin-6-yl]-methylazanium chloride Traditional Name: [9-(4-chlorobenzyl)purin-6-yl]-methyl-ammonium chloride Formula: C13H13Cl2N5 MolecularWeight: 310.18182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN5.ClH/c1-15-12-11-13(17-7-16-12)19(8-18-11)6-9-2-4-10(14)5-3-9;/h2-5,7-8H,6H2,1H3,(H,15,16,17);1H