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

Systemtic Name: 4-[6-azanyl-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[6-amino-9-ethyl-8-(3-fluorophenyl)-2-purinyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-but-3-yn-2-ol Formula: C18H18FN5O MolecularWeight: 339.366823

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)C#CC(C)(C)O)N)N=C1C3=CC(=CC=C3)F

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)C#CC(C)(C)O)N)N=C1C3=CC(=CC=C3)F

InChI

InChI=1S/C18H18FN5O/c1-4-24-16(11-6-5-7-12(19)10-11)23-14-15(20)21-13(22-17(14)24)8-9-18(2,3)25/h5-7,10,25H,4H2,1-3H3,(H2,20,21,22)