1-[4-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-yl]-3-ethyl-urea

Systemtic Name: 1-[4-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-yl]-3-ethyl-urea Openeye Name: 1-[3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1,1-dimethyl-prop-2-ynyl]-3-ethyl-urea CAS Name: 1-[4-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-2-methylbut-3-yn-2-yl]-3-ethylurea IUPAC Name: 1-[4-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-2-methylbut-3-yn-2-yl]-3-ethylurea Traditional Name: 1-[3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1,1-dimethyl-prop-2-ynyl]-3-ethyl-urea Formula: C20H22FN7O MolecularWeight: 395.433383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN7O/c1-5-23-19(29)27-20(2,3)10-9-14-24-16(22)15-18(25-14)28(4)17(26-15)12-7-6-8-13(21)11-12/h6-8,11H,5H2,1-4H3,(H2,22,24,25)(H2,23,27,29)