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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3=CC(=CC=C3)O)N)N=C1C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3=CC(=CC=C3)O)N)N=C1C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C20H14FN5O.ClH/c1-26-19(13-5-3-6-14(21)11-13)25-17-18(22)23-16(24-20(17)26)9-8-12-4-2-7-15(27)10-12;/h2-7,10-11,27H,1H3,(H2,22,23,24);1H