9-[[2-(chloromethyl)phenyl]methyl]purin-6-amine

Systemtic Name: 9-[[2-(chloromethyl)phenyl]methyl]purin-6-amine Openeye Name: 9-[[2-(chloromethyl)phenyl]methyl]purin-6-amine CAS Name: 9-[[2-(chloromethyl)phenyl]methyl]-6-purinamine IUPAC Name: 9-[[2-(chloromethyl)phenyl]methyl]purin-6-amine Traditional Name: [9-[2-(chloromethyl)benzyl]purin-6-yl]amine Formula: C13H12ClN5 MolecularWeight: 273.72088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=NC3=C2N=CN=C3N)CCl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=NC3=C2N=CN=C3N)CCl

InChI

InChI=1S/C13H12ClN5/c14-5-9-3-1-2-4-10(9)6-19-8-18-11-12(15)16-7-17-13(11)19/h1-4,7-8H,5-6H2,(H2,15,16,17)