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

Systemtic Name: 4-[6-chloranyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[6-chloro-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[6-chloro-8-(3-fluorophenyl)-9-methyl-2-purinyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[6-chloro-8-(3-fluorophenyl)-9-methylpurin-2-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[6-chloro-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-ol Formula: C17H14ClFN4O MolecularWeight: 344.770663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClFN4O/c1-17(2,24)8-7-12-20-14(18)13-16(21-12)23(3)15(22-13)10-5-4-6-11(19)9-10/h4-6,9,24H,1-3H3