1-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-4-methyl-pent-1-yn-3-ol

Systemtic Name: 1-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-4-methyl-pent-1-yn-3-ol Openeye Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-4-methyl-pent-1-yn-3-ol CAS Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-4-methyl-1-pentyn-3-ol IUPAC Name: 1-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-4-methylpent-1-yn-3-ol Traditional Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-4-methyl-pent-1-yn-3-ol Formula: C18H18FN5O MolecularWeight: 339.366823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN5O/c1-10(2)13(25)7-8-14-21-16(20)15-18(22-14)24(3)17(23-15)11-5-4-6-12(19)9-11/h4-6,9-10,13,25H,1-3H3,(H2,20,21,22)