4-[6-azanyl-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-but-3-yn-2-ol hydrochloride

Systemtic Name: 4-[6-azanyl-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-but-3-yn-2-ol hydrochloride Openeye Name: 4-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-but-3-yn-2-ol hydrochloride CAS Name: 4-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)-2-purinyl]-2-methyl-3-butyn-2-ol hydrochloride IUPAC Name: 4-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-2-methylbut-3-yn-2-ol hydrochloride Traditional Name: 4-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-but-3-yn-2-ol hydrochloride Formula: C19H19ClFN5O MolecularWeight: 387.838463

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)O.Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN5O.ClH/c1-19(2,26)9-8-14-22-16(21)15-18(23-14)25(13-6-7-13)17(24-15)11-4-3-5-12(20)10-11;/h3-5,10,13,26H,6-7H2,1-2H3,(H2,21,22,23);1H