1-[2-[6-azanyl-9-but-2-ynyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexan-1-ol hydrochloride

Systemtic Name: 1-[2-[6-azanyl-9-but-2-ynyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexan-1-ol hydrochloride Openeye Name: 1-[2-[6-amino-9-but-2-ynyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexanol hydrochloride CAS Name: 1-[2-[6-amino-9-but-2-ynyl-8-(3-fluorophenyl)-2-purinyl]ethynyl]-1-cyclohexanol hydrochloride IUPAC Name: 1-[2-[6-amino-9-but-2-ynyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexan-1-ol hydrochloride Traditional Name: 1-[2-[6-amino-9-but-2-ynyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexanol hydrochloride Formula: C23H23ClFN5O MolecularWeight: 439.913023

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CC#CCN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C23H22FN5O.ClH/c1-2-3-14-29-21(16-8-7-9-17(24)15-16)28-19-20(25)26-18(27-22(19)29)10-13-23(30)11-5-4-6-12-23;/h7-9,15,30H,4-6,11-12,14H2,1H3,(H2,25,26,27);1H