4-[6-azanyl-8-[2,5-bis(fluoranyl)phenyl]-9-propyl-purin-2-yl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[6-azanyl-8-[2,5-bis(fluoranyl)phenyl]-9-propyl-purin-2-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[6-amino-8-(2,5-difluorophenyl)-9-propyl-purin-2-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[6-amino-8-(2,5-difluorophenyl)-9-propyl-2-purinyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[6-amino-8-(2,5-difluorophenyl)-9-propylpurin-2-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[6-amino-8-(2,5-difluorophenyl)-9-propyl-purin-2-yl]-2-methyl-but-3-yn-2-ol Formula: C19H19F2N5O MolecularWeight: 371.383866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F2N5O/c1-4-9-26-17(12-10-11(20)5-6-13(12)21)25-15-16(22)23-14(24-18(15)26)7-8-19(2,3)27/h5-6,10,27H,4,9H2,1-3H3,(H2,22,23,24)