9-[(2-chloranyl-6-fluoranyl-phenyl)methyl]purine; propan-1-amine

Systemtic Name: 9-[(2-chloranyl-6-fluoranyl-phenyl)methyl]purine; propan-1-amine Openeye Name: 9-[(2-chloro-6-fluoro-phenyl)methyl]purine; propan-1-amine CAS Name: 9-[(2-chloro-6-fluorophenyl)methyl]purine; 1-propanamine IUPAC Name: 9-[(2-chloro-6-fluorophenyl)methyl]purine; propan-1-amine Traditional Name: 9-(2-chloro-6-fluoro-benzyl)purine; propylamine Formula: C15H17ClFN5 MolecularWeight: 321.780383

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Descriptors Computed from Structure

Canonical SMILES:

CCCN.C1=CC(=C(C(=C1)Cl)CN2C=NC3=CN=CN=C32)F

Isomeric SMILES

CCCN.C1=CC(=C(C(=C1)Cl)CN2C=NC3=CN=CN=C32)F

InChI

InChI=1S/C12H8ClFN4.C3H9N/c13-9-2-1-3-10(14)8(9)5-18-7-17-11-4-15-6-16-12(11)18;1-2-3-4/h1-4,6-7H,5H2;2-4H2,1H3