9-(4-chlorophenyl)-8-(2-fluorophenyl)-6-pyrrolidin-1-yl-purine

Systemtic Name: 9-(4-chlorophenyl)-8-(2-fluorophenyl)-6-pyrrolidin-1-yl-purine Openeye Name: 9-(4-chlorophenyl)-8-(2-fluorophenyl)-6-pyrrolidin-1-yl-purine CAS Name: 9-(4-chlorophenyl)-8-(2-fluorophenyl)-6-(1-pyrrolidinyl)purine IUPAC Name: 9-(4-chlorophenyl)-8-(2-fluorophenyl)-6-pyrrolidin-1-ylpurine Traditional Name: 9-(4-chlorophenyl)-8-(2-fluorophenyl)-6-pyrrolidino-purine Formula: C21H17ClFN5 MolecularWeight: 393.844583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5F

Isomeric SMILES

C1CCN(C1)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5F

InChI

InChI=1S/C21H17ClFN5/c22-14-7-9-15(10-8-14)28-19(16-5-1-2-6-17(16)23)26-18-20(24-13-25-21(18)28)27-11-3-4-12-27/h1-2,5-10,13H,3-4,11-12H2