N-[(1S)-1-[2-(2-chlorophenyl)-8-fluoranyl-quinolin-3-yl]ethyl]-7H-purin-6-amine

Systemtic Name: N-[(1S)-1-[2-(2-chlorophenyl)-8-fluoranyl-quinolin-3-yl]ethyl]-7H-purin-6-amine Openeye Name: N-[(1S)-1-[2-(2-chlorophenyl)-8-fluoro-3-quinolyl]ethyl]-7H-purin-6-amine CAS Name: N-[(1S)-1-[2-(2-chlorophenyl)-8-fluoro-3-quinolinyl]ethyl]-7H-purin-6-amine IUPAC Name: N-[(1S)-1-[2-(2-chlorophenyl)-8-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine Traditional Name: [(1S)-1-[2-(2-chlorophenyl)-8-fluoro-3-quinolyl]ethyl]-(7H-purin-6-yl)amine Formula: C22H16ClFN6 MolecularWeight: 418.854043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(N=C2C(=C1)C=CC=C2F)C3=CC=CC=C3Cl)NC4=NC=NC5=C4NC=N5

Isomeric SMILES

C[C@@H](C1=C(N=C2C(=C1)C=CC=C2F)C3=CC=CC=C3Cl)NC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C22H16ClFN6/c1-12(29-22-20-21(26-10-25-20)27-11-28-22)15-9-13-5-4-8-17(24)18(13)30-19(15)14-6-2-3-7-16(14)23/h2-12H,1H3,(H2,25,26,27,28,29)/t12-/m0/s1