6-[3,4-bis(fluoranyl)phenyl]-N,9-bis(oxan-2-yl)purin-2-amine

Systemtic Name: 6-[3,4-bis(fluoranyl)phenyl]-N,9-bis(oxan-2-yl)purin-2-amine Openeye Name: 6-(3,4-difluorophenyl)-N,9-di(tetrahydropyran-2-yl)purin-2-amine CAS Name: 6-(3,4-difluorophenyl)-N,9-bis(2-oxanyl)-2-purinamine IUPAC Name: 6-(3,4-difluorophenyl)-N,9-bis(oxan-2-yl)purin-2-amine Traditional Name: [6-(3,4-difluorophenyl)-9-tetrahydropyran-2-yl-purin-2-yl]-tetrahydropyran-2-yl-amine Formula: C21H23F2N5O2 MolecularWeight: 415.436426

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C21H23F2N5O2/c22-14-8-7-13(11-15(14)23)18-19-20(28(12-24-19)17-6-2-4-10-30-17)27-21(26-18)25-16-5-1-3-9-29-16/h7-8,11-12,16-17H,1-6,9-10H2,(H,25,26,27)