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

Systemtic Name: 2-[6-azanyl-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-1-ethynyl-cyclopentan-1-ol Openeye Name: 2-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-1-ethynyl-cyclopentanol CAS Name: 2-[6-amino-8-(3-fluorophenyl)-9-propyl-2-purinyl]-1-ethynyl-1-cyclopentanol IUPAC Name: 2-[6-amino-8-(3-fluorophenyl)-9-propylpurin-2-yl]-1-ethynylcyclopentan-1-ol Traditional Name: 2-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-1-ethynyl-cyclopentanol Formula: C21H22FN5O MolecularWeight: 379.430683

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)N)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)N)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C21H22FN5O/c1-3-11-27-19(13-7-5-8-14(22)12-13)24-16-17(23)25-18(26-20(16)27)15-9-6-10-21(15,28)4-2/h2,5,7-8,12,15,28H,3,6,9-11H2,1H3,(H2,23,25,26)