6-[(2R)-2-[[2,3-bis(fluoranyl)phenoxy]methyl]pyrrolidin-1-yl]-7H-purine

Systemtic Name: 6-[(2R)-2-[[2,3-bis(fluoranyl)phenoxy]methyl]pyrrolidin-1-yl]-7H-purine Openeye Name: 6-[(2R)-2-[(2,3-difluorophenoxy)methyl]pyrrolidin-1-yl]-7H-purine CAS Name: 6-[(2R)-2-[(2,3-difluorophenoxy)methyl]-1-pyrrolidinyl]-7H-purine IUPAC Name: 6-[(2R)-2-[(2,3-difluorophenoxy)methyl]pyrrolidin-1-yl]-7H-purine Traditional Name: 6-[(2R)-2-[(2,3-difluorophenoxy)methyl]pyrrolidino]-7H-purine Formula: C16H15F2N5O MolecularWeight: 331.320006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=NC3=C2NC=N3)COC4=C(C(=CC=C4)F)F

Isomeric SMILES

C1C[C@@H](N(C1)C2=NC=NC3=C2NC=N3)COC4=C(C(=CC=C4)F)F

InChI

InChI=1S/C16H15F2N5O/c17-11-4-1-5-12(13(11)18)24-7-10-3-2-6-23(10)16-14-15(20-8-19-14)21-9-22-16/h1,4-5,8-10H,2-3,6-7H2,(H,19,20,21,22)/t10-/m1/s1