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

Systemtic Name: 1-[6-azanyl-8-[3,5-bis(fluoranyl)phenyl]-9-propyl-purin-2-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 1-[6-amino-8-(3,5-difluorophenyl)-9-propyl-purin-2-yl]-2-methyl-but-3-yn-2-ol CAS Name: 1-[6-amino-8-(3,5-difluorophenyl)-9-propyl-2-purinyl]-2-methyl-3-butyn-2-ol IUPAC Name: 1-[6-amino-8-(3,5-difluorophenyl)-9-propylpurin-2-yl]-2-methylbut-3-yn-2-ol Traditional Name: 1-[6-amino-8-(3,5-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)CC(C)(C#C)O)N)N=C1C3=CC(=CC(=C3)F)F

Isomeric SMILES

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

InChI

InChI=1S/C19H19F2N5O/c1-4-6-26-17(11-7-12(20)9-13(21)8-11)25-15-16(22)23-14(24-18(15)26)10-19(3,27)5-2/h2,7-9,27H,4,6,10H2,1,3H3,(H2,22,23,24)