N-[[2-chloranyl-3,6-bis(fluoranyl)phenyl]methyl]-7H-purin-6-amine

Systemtic Name: N-[[2-chloranyl-3,6-bis(fluoranyl)phenyl]methyl]-7H-purin-6-amine Openeye Name: N-[(2-chloro-3,6-difluoro-phenyl)methyl]-7H-purin-6-amine CAS Name: N-[(2-chloro-3,6-difluorophenyl)methyl]-7H-purin-6-amine IUPAC Name: N-[(2-chloro-3,6-difluorophenyl)methyl]-7H-purin-6-amine Traditional Name: (2-chloro-3,6-difluoro-benzyl)-(7H-purin-6-yl)amine Formula: C12H8ClF2N5 MolecularWeight: 295.675226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1F)CNC2=NC=NC3=C2NC=N3)Cl)F

Isomeric SMILES

C1=CC(=C(C(=C1F)CNC2=NC=NC3=C2NC=N3)Cl)F

InChI

InChI=1S/C12H8ClF2N5/c13-9-6(7(14)1-2-8(9)15)3-16-11-10-12(18-4-17-10)20-5-19-11/h1-2,4-5H,3H2,(H2,16,17,18,19,20)