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

Systemtic Name: ethyl N-[4-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-yl]carbamate Openeye Name: ethyl N-[3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1,1-dimethyl-prop-2-ynyl]carbamate CAS Name: N-[4-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-2-methylbut-3-yn-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-2-methylbut-3-yn-2-yl]carbamate Traditional Name: N-[3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1,1-dimethyl-prop-2-ynyl]carbamic acid ethyl ester Formula: C20H21FN6O2 MolecularWeight: 396.418143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN6O2/c1-5-29-19(28)26-20(2,3)10-9-14-23-16(22)15-18(24-14)27(4)17(25-15)12-7-6-8-13(21)11-12/h6-8,11H,5H2,1-4H3,(H,26,28)(H2,22,23,24)