1-[6-azanyl-8-[3,5-bis(fluoranyl)phenyl]-9-propyl-purin-2-yl]-3-ethyl-penta-1,4-diyn-3-ol

Systemtic Name: 1-[6-azanyl-8-[3,5-bis(fluoranyl)phenyl]-9-propyl-purin-2-yl]-3-ethyl-penta-1,4-diyn-3-ol Openeye Name: 1-[6-amino-8-(3,5-difluorophenyl)-9-propyl-purin-2-yl]-3-ethyl-penta-1,4-diyn-3-ol CAS Name: 1-[6-amino-8-(3,5-difluorophenyl)-9-propyl-2-purinyl]-3-ethyl-3-penta-1,4-diynol IUPAC Name: 1-[6-amino-8-(3,5-difluorophenyl)-9-propylpurin-2-yl]-3-ethylpenta-1,4-diyn-3-ol Traditional Name: 1-[6-amino-8-(3,5-difluorophenyl)-9-propyl-purin-2-yl]-3-ethyl-penta-1,4-diyn-3-ol Formula: C21H19F2N5O MolecularWeight: 395.405266

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C#CC(CC)(C#C)O)N)N=C1C3=CC(=CC(=C3)F)F

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C#CC(CC)(C#C)O)N)N=C1C3=CC(=CC(=C3)F)F

InChI

InChI=1S/C21H19F2N5O/c1-4-9-28-19(13-10-14(22)12-15(23)11-13)27-17-18(24)25-16(26-20(17)28)7-8-21(29,5-2)6-3/h2,10-12,29H,4,6,9H2,1,3H3,(H2,24,25,26)