N-[4-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-yl]methanesulfonamide

Systemtic Name: N-[4-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-yl]methanesulfonamide Openeye Name: N-[3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1,1-dimethyl-prop-2-ynyl]methanesulfonamide CAS Name: N-[4-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-2-methylbut-3-yn-2-yl]methanesulfonamide IUPAC Name: N-[4-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-2-methylbut-3-yn-2-yl]methanesulfonamide Traditional Name: N-[3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1,1-dimethyl-prop-2-ynyl]methanesulfonamide Formula: C18H19FN6O2S MolecularWeight: 402.445863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN6O2S/c1-18(2,24-28(4,26)27)9-8-13-21-15(20)14-17(22-13)25(3)16(23-14)11-6-5-7-12(19)10-11/h5-7,10,24H,1-4H3,(H2,20,21,22)