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

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

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

Isomeric SMILES

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

InChI

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