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

Systemtic Name: 1-ethynyl-2-[8-(3-fluorophenyl)-9-methyl-6-(propylamino)purin-2-yl]cyclopentan-1-ol Openeye Name: 1-ethynyl-2-[8-(3-fluorophenyl)-9-methyl-6-(propylamino)purin-2-yl]cyclopentanol CAS Name: 1-ethynyl-2-[8-(3-fluorophenyl)-9-methyl-6-(propylamino)-2-purinyl]-1-cyclopentanol IUPAC Name: 1-ethynyl-2-[8-(3-fluorophenyl)-9-methyl-6-(propylamino)purin-2-yl]cyclopentan-1-ol Traditional Name: 1-ethynyl-2-[8-(3-fluorophenyl)-9-methyl-6-(propylamino)purin-2-yl]cyclopentanol Formula: C22H24FN5O MolecularWeight: 393.457263

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC2=C1N=C(N2C)C3=CC(=CC=C3)F)C4CCCC4(C#C)O

Isomeric SMILES

CCCNC1=NC(=NC2=C1N=C(N2C)C3=CC(=CC=C3)F)C4CCCC4(C#C)O

InChI

InChI=1S/C22H24FN5O/c1-4-12-24-19-17-21(27-18(26-19)16-10-7-11-22(16,29)5-2)28(3)20(25-17)14-8-6-9-15(23)13-14/h2,6,8-9,13,16,29H,4,7,10-12H2,1,3H3,(H,24,26,27)