1-[2-[6-azanyl-8-(furan-2-yl)-9-phenyl-purin-2-yl]ethynyl]cyclopentan-1-ol hydrochloride

Systemtic Name: 1-[2-[6-azanyl-8-(furan-2-yl)-9-phenyl-purin-2-yl]ethynyl]cyclopentan-1-ol hydrochloride Openeye Name: 1-[2-[6-amino-8-(2-furyl)-9-phenyl-purin-2-yl]ethynyl]cyclopentanol hydrochloride CAS Name: 1-[2-[6-amino-8-(2-furanyl)-9-phenyl-2-purinyl]ethynyl]-1-cyclopentanol hydrochloride IUPAC Name: 1-[2-[6-amino-8-(furan-2-yl)-9-phenylpurin-2-yl]ethynyl]cyclopentan-1-ol hydrochloride Traditional Name: 1-[2-[6-amino-8-(2-furyl)-9-phenyl-purin-2-yl]ethynyl]cyclopentanol hydrochloride Formula: C22H20ClN5O2 MolecularWeight: 421.8795

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#CC2=NC3=C(C(=N2)N)N=C(N3C4=CC=CC=C4)C5=CC=CO5)O.Cl

Isomeric SMILES

C1CCC(C1)(C#CC2=NC3=C(C(=N2)N)N=C(N3C4=CC=CC=C4)C5=CC=CO5)O.Cl

InChI

InChI=1S/C22H19N5O2.ClH/c23-19-18-21(25-17(24-19)10-13-22(28)11-4-5-12-22)27(15-7-2-1-3-8-15)20(26-18)16-9-6-14-29-16;/h1-3,6-9,14,28H,4-5,11-12H2,(H2,23,24,25);1H