3-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-N-propan-2-yl-prop-2-ynamide

Systemtic Name: 3-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-N-propan-2-yl-prop-2-ynamide Openeye Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-N-isopropyl-prop-2-ynamide CAS Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-N-propan-2-yl-2-propynamide IUPAC Name: 3-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-N-propan-2-ylprop-2-ynamide Traditional Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-N-isopropyl-propiolamide Formula: C18H17FN6O MolecularWeight: 352.365583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN6O/c1-10(2)21-14(26)8-7-13-22-16(20)15-18(23-13)25(3)17(24-15)11-5-4-6-12(19)9-11/h4-6,9-10H,1-3H3,(H,21,26)(H2,20,22,23)