2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-7H-purin-6-amine

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-7H-purin-6-amine Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl]-7H-purin-6-amine CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl]-7H-purin-6-amine IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methyl]-7H-purin-6-amine Traditional Name: [2-(2-chloro-6-fluoro-benzyl)-7H-purin-6-yl]amine Formula: C12H9ClFN5 MolecularWeight: 277.684763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CC2=NC3=C(C(=N2)N)NC=N3)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CC2=NC3=C(C(=N2)N)NC=N3)F

InChI

InChI=1S/C12H9ClFN5/c13-7-2-1-3-8(14)6(7)4-9-18-11(15)10-12(19-9)17-5-16-10/h1-3,5H,4H2,(H3,15,16,17,18,19)