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

Systemtic Name: 1-[6-azanyl-8-(3-fluorophenyl)-9-(4-morpholin-4-ylphenyl)purin-2-yl]-2-ethynyl-cyclohexan-1-ol Openeye Name: 1-[6-amino-8-(3-fluorophenyl)-9-(4-morpholinophenyl)purin-2-yl]-2-ethynyl-cyclohexanol CAS Name: 1-[6-amino-8-(3-fluorophenyl)-9-[4-(4-morpholinyl)phenyl]-2-purinyl]-2-ethynyl-1-cyclohexanol IUPAC Name: 1-[6-amino-8-(3-fluorophenyl)-9-(4-morpholin-4-ylphenyl)purin-2-yl]-2-ethynylcyclohexan-1-ol Traditional Name: 1-[6-amino-8-(3-fluorophenyl)-9-(4-morpholinophenyl)purin-2-yl]-2-ethynyl-cyclohexanol Formula: C29H29FN6O2 MolecularWeight: 512.577963

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1CCCCC1(C2=NC3=C(C(=N2)N)N=C(N3C4=CC=C(C=C4)N5CCOCC5)C6=CC(=CC=C6)F)O

Isomeric SMILES

C#CC1CCCCC1(C2=NC3=C(C(=N2)N)N=C(N3C4=CC=C(C=C4)N5CCOCC5)C6=CC(=CC=C6)F)O

InChI

InChI=1S/C29H29FN6O2/c1-2-20-7-3-4-13-29(20,37)28-33-25(31)24-27(34-28)36(26(32-24)19-6-5-8-21(30)18-19)23-11-9-22(10-12-23)35-14-16-38-17-15-35/h1,5-6,8-12,18,20,37H,3-4,7,13-17H2,(H2,31,33,34)