1-[2-[6-azanyl-9-cyclopentyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexan-1-ol

Systemtic Name: 1-[2-[6-azanyl-9-cyclopentyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-amino-9-cyclopentyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[6-amino-9-cyclopentyl-8-(3-fluorophenyl)-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[6-amino-9-cyclopentyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-amino-9-cyclopentyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexanol Formula: C24H26FN5O MolecularWeight: 419.494543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3C4CCCC4)C5=CC(=CC=C5)F)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3C4CCCC4)C5=CC(=CC=C5)F)O

InChI

InChI=1S/C24H26FN5O/c25-17-8-6-7-16(15-17)22-29-20-21(26)27-19(11-14-24(31)12-4-1-5-13-24)28-23(20)30(22)18-9-2-3-10-18/h6-8,15,18,31H,1-5,9-10,12-13H2,(H2,26,27,28)