9-[[3-(chloromethyl)phenyl]methyl]purine-2,6-diamine

Systemtic Name: 9-[[3-(chloromethyl)phenyl]methyl]purine-2,6-diamine Openeye Name: 9-[[3-(chloromethyl)phenyl]methyl]purine-2,6-diamine CAS Name: 9-[[3-(chloromethyl)phenyl]methyl]purine-2,6-diamine IUPAC Name: 9-[[3-(chloromethyl)phenyl]methyl]purine-2,6-diamine Traditional Name: [2-amino-9-[3-(chloromethyl)benzyl]purin-6-yl]amine Formula: C13H13ClN6 MolecularWeight: 288.73552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN6/c14-5-8-2-1-3-9(4-8)6-20-7-17-10-11(15)18-13(16)19-12(10)20/h1-4,7H,5-6H2,(H4,15,16,18,19)