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

Systemtic Name: 3-fluoranyl-4-[6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxypurin-9-yl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)cyclohexoxy]purin-9-yl]benzonitrile CAS Name: 3-fluoro-4-[6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxy-9-purinyl]benzonitrile IUPAC Name: 3-fluoro-4-[6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxypurin-9-yl]benzonitrile Traditional Name: 3-fluoro-4-[6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)cyclohexoxy]purin-9-yl]benzonitrile Formula: C23H22FN7O2 MolecularWeight: 447.464883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)C2CCC(CC2)OC3=NC=NC4=C3N=CN4C5=C(C=C(C=C5)C#N)F

Isomeric SMILES

CC(C)C1=NOC(=N1)C2CCC(CC2)OC3=NC=NC4=C3N=CN4C5=C(C=C(C=C5)C#N)F

InChI

InChI=1S/C23H22FN7O2/c1-13(2)20-29-22(33-30-20)15-4-6-16(7-5-15)32-23-19-21(26-11-27-23)31(12-28-19)18-8-3-14(10-25)9-17(18)24/h3,8-9,11-13,15-16H,4-7H2,1-2H3