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

Systemtic Name: 4-[6-azanyl-8-[3,5-bis(fluoranyl)phenyl]-9-cyclopropyl-purin-2-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[6-amino-9-cyclopropyl-8-(3,5-difluorophenyl)purin-2-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[6-amino-9-cyclopropyl-8-(3,5-difluorophenyl)-2-purinyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[6-amino-9-cyclopropyl-8-(3,5-difluorophenyl)purin-2-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[6-amino-9-cyclopropyl-8-(3,5-difluorophenyl)purin-2-yl]-2-methyl-but-3-yn-2-ol Formula: C19H17F2N5O MolecularWeight: 369.367986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F2N5O/c1-19(2,27)6-5-14-23-16(22)15-18(24-14)26(13-3-4-13)17(25-15)10-7-11(20)9-12(21)8-10/h7-9,13,27H,3-4H2,1-2H3,(H2,22,23,24)