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

Systemtic Name: 1-[2-[6-(ethylamino)-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cyclopentan-1-ol Openeye Name: 1-[2-[6-(ethylamino)-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cyclopentanol CAS Name: 1-[2-[6-(ethylamino)-8-(3-fluorophenyl)-9-methyl-2-purinyl]ethynyl]-1-cyclopentanol IUPAC Name: 1-[2-[6-(ethylamino)-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cyclopentan-1-ol Traditional Name: 1-[2-[6-(ethylamino)-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cyclopentanol Formula: C21H22FN5O MolecularWeight: 379.430683

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=C1N=C(N2C)C3=CC(=CC=C3)F)C#CC4(CCCC4)O

Isomeric SMILES

CCNC1=NC(=NC2=C1N=C(N2C)C3=CC(=CC=C3)F)C#CC4(CCCC4)O

InChI

InChI=1S/C21H22FN5O/c1-3-23-18-17-20(25-16(24-18)9-12-21(28)10-4-5-11-21)27(2)19(26-17)14-7-6-8-15(22)13-14/h6-8,13,28H,3-5,10-11H2,1-2H3,(H,23,24,25)