3-fluoranyl-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]aniline

Systemtic Name: 3-fluoranyl-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]aniline Openeye Name: 3-fluoro-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]aniline CAS Name: 3-fluoro-N-[[(2R)-1-(7H-purin-6-yl)-2-pyrrolidinyl]methyl]aniline IUPAC Name: 3-fluoro-N-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]aniline Traditional Name: (3-fluorophenyl)-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methyl]amine Formula: C16H17FN6 MolecularWeight: 312.344783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=NC3=C2NC=N3)CNC4=CC(=CC=C4)F

Isomeric SMILES

C1C[C@@H](N(C1)C2=NC=NC3=C2NC=N3)CNC4=CC(=CC=C4)F

InChI

InChI=1S/C16H17FN6/c17-11-3-1-4-12(7-11)18-8-13-5-2-6-23(13)16-14-15(20-9-19-14)21-10-22-16/h1,3-4,7,9-10,13,18H,2,5-6,8H2,(H,19,20,21,22)/t13-/m1/s1