6-azanyl-2-ethynyl-3-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]phenol hydrochloride

Systemtic Name: 6-azanyl-2-ethynyl-3-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]phenol hydrochloride Openeye Name: 6-amino-2-ethynyl-3-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]phenol hydrochloride CAS Name: 6-amino-2-ethynyl-3-[8-(3-fluorophenyl)-9-methyl-2-purinyl]phenol hydrochloride IUPAC Name: 6-amino-2-ethynyl-3-[8-(3-fluorophenyl)-9-methylpurin-2-yl]phenol hydrochloride Traditional Name: 6-amino-2-ethynyl-3-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]phenol hydrochloride Formula: C20H15ClFN5O MolecularWeight: 395.817403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CN=C(N=C21)C3=C(C(=C(C=C3)N)O)C#C)C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CN1C(=NC2=CN=C(N=C21)C3=C(C(=C(C=C3)N)O)C#C)C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C20H14FN5O.ClH/c1-3-13-14(7-8-15(22)17(13)27)18-23-10-16-20(25-18)26(2)19(24-16)11-5-4-6-12(21)9-11;/h1,4-10,27H,22H2,2H3;1H