1-[6-azanyl-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-3-ethyl-pent-1-yn-3-ol

Systemtic Name: 1-[6-azanyl-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-3-ethyl-pent-1-yn-3-ol Openeye Name: 1-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-3-ethyl-pent-1-yn-3-ol CAS Name: 1-[6-amino-9-ethyl-8-(3-fluorophenyl)-2-purinyl]-3-ethyl-1-pentyn-3-ol IUPAC Name: 1-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-3-ethylpent-1-yn-3-ol Traditional Name: 1-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-3-ethyl-pent-1-yn-3-ol Formula: C20H22FN5O MolecularWeight: 367.419983

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#CC1=NC2=C(C(=N1)N)N=C(N2CC)C3=CC(=CC=C3)F)O

Isomeric SMILES

CCC(CC)(C#CC1=NC2=C(C(=N1)N)N=C(N2CC)C3=CC(=CC=C3)F)O

InChI

InChI=1S/C20H22FN5O/c1-4-20(27,5-2)11-10-15-23-17(22)16-19(24-15)26(6-3)18(25-16)13-8-7-9-14(21)12-13/h7-9,12,27H,4-6H2,1-3H3,(H2,22,23,24)