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

Systemtic Name: 4-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-1-methyl-piperidin-4-ol Openeye Name: 4-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-1-methyl-piperidin-4-ol CAS Name: 4-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]ethynyl]-1-methyl-4-piperidinol IUPAC Name: 4-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]-1-methylpiperidin-4-ol Traditional Name: 4-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-1-methyl-piperidin-4-ol Formula: C20H21FN6O MolecularWeight: 380.418743

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3C)C4=CC(=CC=C4)F)O

Isomeric SMILES

CN1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3C)C4=CC(=CC=C4)F)O

InChI

InChI=1S/C20H21FN6O/c1-26-10-8-20(28,9-11-26)7-6-15-23-17(22)16-19(24-15)27(2)18(25-16)13-4-3-5-14(21)12-13/h3-5,12,28H,8-11H2,1-2H3,(H2,22,23,24)