4-[9-(4-cyano-2-fluoranyl-phenyl)purin-6-yl]oxypiperidine-1-carboxylic acid

Systemtic Name: 4-[9-(4-cyano-2-fluoranyl-phenyl)purin-6-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[9-(4-cyano-2-fluoro-phenyl)purin-6-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[9-(4-cyano-2-fluorophenyl)-6-purinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[9-(4-cyano-2-fluorophenyl)purin-6-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[9-(4-cyano-2-fluoro-phenyl)purin-6-yl]oxypiperidine-1-carboxylic acid Formula: C18H15FN6O3 MolecularWeight: 382.348503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=NC=NC3=C2N=CN3C4=C(C=C(C=C4)C#N)F)C(=O)O

Isomeric SMILES

C1CN(CCC1OC2=NC=NC3=C2N=CN3C4=C(C=C(C=C4)C#N)F)C(=O)O

InChI

InChI=1S/C18H15FN6O3/c19-13-7-11(8-20)1-2-14(13)25-10-23-15-16(25)21-9-22-17(15)28-12-3-5-24(6-4-12)18(26)27/h1-2,7,9-10,12H,3-6H2,(H,26,27)