2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-9-(3-morpholin-4-ylpropyl)purin-2-yl]cyclohexan-1-ol

Systemtic Name: 2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-9-(3-morpholin-4-ylpropyl)purin-2-yl]cyclohexan-1-ol Openeye Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(3-morpholinopropyl)purin-2-yl]cyclohexanol CAS Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-[3-(4-morpholinyl)propyl]-2-purinyl]-1-cyclohexanol IUPAC Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(3-morpholin-4-ylpropyl)purin-2-yl]cyclohexan-1-ol Traditional Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(3-morpholinopropyl)purin-2-yl]cyclohexanol Formula: C26H31FN6O2 MolecularWeight: 478.561743

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(CCCC1N)C2=NC=C3C(=N2)N(C(=N3)C4=CC(=CC=C4)F)CCCN5CCOCC5)O

Isomeric SMILES

C#CC1(C(CCCC1N)C2=NC=C3C(=N2)N(C(=N3)C4=CC(=CC=C4)F)CCCN5CCOCC5)O

InChI

InChI=1S/C26H31FN6O2/c1-2-26(34)20(8-4-9-22(26)28)23-29-17-21-25(31-23)33(11-5-10-32-12-14-35-15-13-32)24(30-21)18-6-3-7-19(27)16-18/h1,3,6-7,16-17,20,22,34H,4-5,8-15,28H2