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

Systemtic Name: 1-[2-[8-(3-fluorophenyl)-6-(2-hydroxyethylamino)-9-methyl-purin-2-yl]ethynyl]cyclopentan-1-ol Openeye Name: 1-[2-[8-(3-fluorophenyl)-6-(2-hydroxyethylamino)-9-methyl-purin-2-yl]ethynyl]cyclopentanol CAS Name: 1-[2-[8-(3-fluorophenyl)-6-(2-hydroxyethylamino)-9-methyl-2-purinyl]ethynyl]-1-cyclopentanol IUPAC Name: 1-[2-[8-(3-fluorophenyl)-6-(2-hydroxyethylamino)-9-methylpurin-2-yl]ethynyl]cyclopentan-1-ol Traditional Name: 1-[2-[8-(3-fluorophenyl)-6-(2-hydroxyethylamino)-9-methyl-purin-2-yl]ethynyl]cyclopentanol Formula: C21H22FN5O2 MolecularWeight: 395.430083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCCC3)O)NCCO)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCCC3)O)NCCO)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C21H22FN5O2/c1-27-19(14-5-4-6-15(22)13-14)26-17-18(23-11-12-28)24-16(25-20(17)27)7-10-21(29)8-2-3-9-21/h4-6,13,28-29H,2-3,8-9,11-12H2,1H3,(H,23,24,25)