ethyl N-[1-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-3-methyl-butan-2-yl]carbamate

Systemtic Name: ethyl N-[1-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-3-methyl-butan-2-yl]carbamate Openeye Name: ethyl N-[1-[[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]methyl]-2-methyl-propyl]carbamate CAS Name: N-[1-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-3-methylbutan-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[1-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-3-methylbutan-2-yl]carbamate Traditional Name: N-[1-[[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]methyl]-2-methyl-propyl]carbamic acid ethyl ester Formula: C20H25FN6O2 MolecularWeight: 400.449903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN6O2/c1-5-29-20(28)23-14(11(2)3)10-15-24-17(22)16-19(25-15)27(4)18(26-16)12-7-6-8-13(21)9-12/h6-9,11,14H,5,10H2,1-4H3,(H,23,28)(H2,22,24,25)