1-[6-azanyl-8-[3,5-bis(fluoranyl)phenyl]-9-methyl-purin-2-yl]-3-ethyl-pent-1-yn-3-ol

Systemtic Name: 1-[6-azanyl-8-[3,5-bis(fluoranyl)phenyl]-9-methyl-purin-2-yl]-3-ethyl-pent-1-yn-3-ol Openeye Name: 1-[6-amino-8-(3,5-difluorophenyl)-9-methyl-purin-2-yl]-3-ethyl-pent-1-yn-3-ol CAS Name: 1-[6-amino-8-(3,5-difluorophenyl)-9-methyl-2-purinyl]-3-ethyl-1-pentyn-3-ol IUPAC Name: 1-[6-amino-8-(3,5-difluorophenyl)-9-methylpurin-2-yl]-3-ethylpent-1-yn-3-ol Traditional Name: 1-[6-amino-8-(3,5-difluorophenyl)-9-methyl-purin-2-yl]-3-ethyl-pent-1-yn-3-ol Formula: C19H19F2N5O MolecularWeight: 371.383866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#CC1=NC2=C(C(=N1)N)N=C(N2C)C3=CC(=CC(=C3)F)F)O

Isomeric SMILES

CCC(CC)(C#CC1=NC2=C(C(=N1)N)N=C(N2C)C3=CC(=CC(=C3)F)F)O

InChI

InChI=1S/C19H19F2N5O/c1-4-19(27,5-2)7-6-14-23-16(22)15-18(24-14)26(3)17(25-15)11-8-12(20)10-13(21)9-11/h8-10,27H,4-5H2,1-3H3,(H2,22,23,24)