2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-7H-purin-2-yl]cyclohexan-1-ol hydrochloride

Systemtic Name: 2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-7H-purin-2-yl]cyclohexan-1-ol hydrochloride Openeye Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-7H-purin-2-yl]cyclohexanol hydrochloride CAS Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-7H-purin-2-yl]-1-cyclohexanol hydrochloride IUPAC Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-7H-purin-2-yl]cyclohexan-1-ol hydrochloride Traditional Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-7H-purin-2-yl]cyclohexanol hydrochloride Formula: C19H19ClFN5O MolecularWeight: 387.838463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(CCCC1N)C2=NC=C3C(=N2)N=C(N3)C4=CC(=CC=C4)F)O.Cl

Isomeric SMILES

C#CC1(C(CCCC1N)C2=NC=C3C(=N2)N=C(N3)C4=CC(=CC=C4)F)O.Cl

InChI

InChI=1S/C19H18FN5O.ClH/c1-2-19(26)13(7-4-8-15(19)21)17-22-10-14-18(25-17)24-16(23-14)11-5-3-6-12(20)9-11;/h1,3,5-6,9-10,13,15,26H,4,7-8,21H2,(H,22,23,24,25);1H