N-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-9-cyclopentyl-purin-8-amine dihydrochloride

Systemtic Name: N-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-9-cyclopentyl-purin-8-amine dihydrochloride Openeye Name: N-[(4-chloro-2-fluoro-phenyl)methyl]-9-cyclopentyl-purin-8-amine dihydrochloride CAS Name: N-[(4-chloro-2-fluorophenyl)methyl]-9-cyclopentyl-8-purinamine dihydrochloride IUPAC Name: N-[(4-chloro-2-fluorophenyl)methyl]-9-cyclopentylpurin-8-amine dihydrochloride Traditional Name: (4-chloro-2-fluoro-benzyl)-(9-cyclopentylpurin-8-yl)amine dihydrochloride Formula: C17H19Cl3FN5 MolecularWeight: 418.723663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=NC=NC=C3N=C2NCC4=C(C=C(C=C4)Cl)F.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C3=NC=NC=C3N=C2NCC4=C(C=C(C=C4)Cl)F.Cl.Cl

InChI

InChI=1S/C17H17ClFN5.2ClH/c18-12-6-5-11(14(19)7-12)8-21-17-23-15-9-20-10-22-16(15)24(17)13-3-1-2-4-13;;/h5-7,9-10,13H,1-4,8H2,(H,21,23);2*1H