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

Systemtic Name: 1-[6-azanyl-8-[3,5-bis(fluoranyl)phenyl]-9-cyclopropyl-purin-2-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 1-[6-amino-9-cyclopropyl-8-(3,5-difluorophenyl)purin-2-yl]-2-methyl-but-3-yn-2-ol CAS Name: 1-[6-amino-9-cyclopropyl-8-(3,5-difluorophenyl)-2-purinyl]-2-methyl-3-butyn-2-ol IUPAC Name: 1-[6-amino-9-cyclopropyl-8-(3,5-difluorophenyl)purin-2-yl]-2-methylbut-3-yn-2-ol Traditional Name: 1-[6-amino-9-cyclopropyl-8-(3,5-difluorophenyl)purin-2-yl]-2-methyl-but-3-yn-2-ol Formula: C19H17F2N5O MolecularWeight: 369.367986

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=C(C(=N1)N)N=C(N2C3CC3)C4=CC(=CC(=C4)F)F)(C#C)O

Isomeric SMILES

CC(CC1=NC2=C(C(=N1)N)N=C(N2C3CC3)C4=CC(=CC(=C4)F)F)(C#C)O

InChI

InChI=1S/C19H17F2N5O/c1-3-19(2,27)9-14-23-16(22)15-18(24-14)26(13-4-5-13)17(25-15)10-6-11(20)8-12(21)7-10/h1,6-8,13,27H,4-5,9H2,2H3,(H2,22,23,24)