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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC(CC1(C#C)C2=NC=C3C(=N2)N(C(=N3)C4=CC=CC=C4F)C)O)N

Isomeric SMILES

CN1C(CC(CC1(C#C)C2=NC=C3C(=N2)N(C(=N3)C4=CC=CC=C4F)C)O)N

InChI

InChI=1S/C20H21FN6O/c1-4-20(10-12(28)9-16(22)27(20)3)19-23-11-15-18(25-19)26(2)17(24-15)13-7-5-6-8-14(13)21/h1,5-8,11-12,16,28H,9-10,22H2,2-3H3