1-[2-[6-azanyl-8-(3-fluorophenyl)-9-prop-2-enyl-purin-2-yl]ethynyl]cyclobutan-1-ol

Systemtic Name: 1-[2-[6-azanyl-8-(3-fluorophenyl)-9-prop-2-enyl-purin-2-yl]ethynyl]cyclobutan-1-ol Openeye Name: 1-[2-[9-allyl-6-amino-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclobutanol CAS Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-prop-2-enyl-2-purinyl]ethynyl]-1-cyclobutanol IUPAC Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-prop-2-enylpurin-2-yl]ethynyl]cyclobutan-1-ol Traditional Name: 1-[2-[9-allyl-6-amino-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclobutanol Formula: C20H18FN5O MolecularWeight: 363.388223

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C(=NC(=N2)C#CC3(CCC3)O)N)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

C=CCN1C2=C(C(=NC(=N2)C#CC3(CCC3)O)N)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C20H18FN5O/c1-2-11-26-18(13-5-3-6-14(21)12-13)25-16-17(22)23-15(24-19(16)26)7-10-20(27)8-4-9-20/h2-3,5-6,12,27H,1,4,8-9,11H2,(H2,22,23,24)