3-fluoranyl-4-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypurin-9-yl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypurin-9-yl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[6-[[1-(3-isopropyl-1,2,4-oxadiazol-5-yl)-4-piperidyl]oxy]purin-9-yl]benzonitrile CAS Name: 3-fluoro-4-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4-piperidinyl]oxy]-9-purinyl]benzonitrile IUPAC Name: 3-fluoro-4-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypurin-9-yl]benzonitrile Traditional Name: 3-fluoro-4-[6-[[1-(3-isopropyl-1,2,4-oxadiazol-5-yl)-4-piperidyl]oxy]purin-9-yl]benzonitrile Formula: C22H21FN8O2 MolecularWeight: 448.452943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)N2CCC(CC2)OC3=NC=NC4=C3N=CN4C5=C(C=C(C=C5)C#N)F

Isomeric SMILES

CC(C)C1=NOC(=N1)N2CCC(CC2)OC3=NC=NC4=C3N=CN4C5=C(C=C(C=C5)C#N)F

InChI

InChI=1S/C22H21FN8O2/c1-13(2)19-28-22(33-29-19)30-7-5-15(6-8-30)32-21-18-20(25-11-26-21)31(12-27-18)17-4-3-14(10-24)9-16(17)23/h3-4,9,11-13,15H,5-8H2,1-2H3