6-chloranyl-9-[[3-(chloromethyl)phenyl]methyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[[3-(chloromethyl)phenyl]methyl]purin-2-amine Openeye Name: 6-chloro-9-[[3-(chloromethyl)phenyl]methyl]purin-2-amine CAS Name: 6-chloro-9-[[3-(chloromethyl)phenyl]methyl]-2-purinamine IUPAC Name: 6-chloro-9-[[3-(chloromethyl)phenyl]methyl]purin-2-amine Traditional Name: [6-chloro-9-[3-(chloromethyl)benzyl]purin-2-yl]amine Formula: C13H11Cl2N5 MolecularWeight: 308.16594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CCl)CN2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

C1=CC(=CC(=C1)CCl)CN2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C13H11Cl2N5/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,(H2,16,18,19)