6-[(2R)-4,4-bis(fluoranyl)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine

Systemtic Name: 6-[(2R)-4,4-bis(fluoranyl)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine Openeye Name: 6-[(2R)-4,4-difluoro-2-(1-naphthyloxymethyl)pyrrolidin-1-yl]-7H-purine CAS Name: 6-[(2R)-4,4-difluoro-2-(1-naphthalenyloxymethyl)-1-pyrrolidinyl]-7H-purine IUPAC Name: 6-[(2R)-4,4-difluoro-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-7H-purine Traditional Name: 6-[(2R)-4,4-difluoro-2-(1-naphthoxymethyl)pyrrolidino]-7H-purine Formula: C20H17F2N5O MolecularWeight: 381.378686

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC1(F)F)C2=NC=NC3=C2NC=N3)COC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1[C@@H](N(CC1(F)F)C2=NC=NC3=C2NC=N3)COC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C20H17F2N5O/c21-20(22)8-14(9-28-16-7-3-5-13-4-1-2-6-15(13)16)27(10-20)19-17-18(24-11-23-17)25-12-26-19/h1-7,11-12,14H,8-10H2,(H,23,24,25,26)/t14-/m1/s1