2-(3,3-dimethylbut-1-ynyl)-8-(3-fluorophenyl)-9-methyl-purin-6-amine

Systemtic Name: 2-(3,3-dimethylbut-1-ynyl)-8-(3-fluorophenyl)-9-methyl-purin-6-amine Openeye Name: 2-(3,3-dimethylbut-1-ynyl)-8-(3-fluorophenyl)-9-methyl-purin-6-amine CAS Name: 2-(3,3-dimethylbut-1-ynyl)-8-(3-fluorophenyl)-9-methyl-6-purinamine IUPAC Name: 2-(3,3-dimethylbut-1-ynyl)-8-(3-fluorophenyl)-9-methylpurin-6-amine Traditional Name: [2-(3,3-dimethylbut-1-ynyl)-8-(3-fluorophenyl)-9-methyl-purin-6-yl]amine Formula: C18H18FN5 MolecularWeight: 323.367423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=NC2=C(C(=N1)N)N=C(N2C)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)C#CC1=NC2=C(C(=N1)N)N=C(N2C)C3=CC(=CC=C3)F

InChI

InChI=1S/C18H18FN5/c1-18(2,3)9-8-13-21-15(20)14-17(22-13)24(4)16(23-14)11-6-5-7-12(19)10-11/h5-7,10H,1-4H3,(H2,20,21,22)