6-(4-fluorophenyl)-N,9-bis(oxan-2-yl)purin-2-amine

Systemtic Name: 6-(4-fluorophenyl)-N,9-bis(oxan-2-yl)purin-2-amine Openeye Name: 6-(4-fluorophenyl)-N,9-di(tetrahydropyran-2-yl)purin-2-amine CAS Name: 6-(4-fluorophenyl)-N,9-bis(2-oxanyl)-2-purinamine IUPAC Name: 6-(4-fluorophenyl)-N,9-bis(oxan-2-yl)purin-2-amine Traditional Name: [6-(4-fluorophenyl)-9-tetrahydropyran-2-yl-purin-2-yl]-tetrahydropyran-2-yl-amine Formula: C21H24FN5O2 MolecularWeight: 397.445963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)NC2=NC(=C3C(=N2)N(C=N3)C4CCCCO4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCOC(C1)NC2=NC(=C3C(=N2)N(C=N3)C4CCCCO4)C5=CC=C(C=C5)F

InChI

InChI=1S/C21H24FN5O2/c22-15-9-7-14(8-10-15)18-19-20(27(13-23-19)17-6-2-4-12-29-17)26-21(25-18)24-16-5-1-3-11-28-16/h7-10,13,16-17H,1-6,11-12H2,(H,24,25,26)