1-[2-[6-azanyl-8-(3-fluorophenyl)-9-propyl-purin-2-yl]ethynyl]cyclopentan-1-ol hydrochloride

Systemtic Name: 1-[2-[6-azanyl-8-(3-fluorophenyl)-9-propyl-purin-2-yl]ethynyl]cyclopentan-1-ol hydrochloride Openeye Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]ethynyl]cyclopentanol hydrochloride CAS Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-propyl-2-purinyl]ethynyl]-1-cyclopentanol hydrochloride IUPAC Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-propylpurin-2-yl]ethynyl]cyclopentan-1-ol hydrochloride Traditional Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]ethynyl]cyclopentanol hydrochloride Formula: C21H23ClFN5O MolecularWeight: 415.891623

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C#CC3(CCCC3)O)N)N=C1C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C#CC3(CCCC3)O)N)N=C1C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C21H22FN5O.ClH/c1-2-12-27-19(14-6-5-7-15(22)13-14)26-17-18(23)24-16(25-20(17)27)8-11-21(28)9-3-4-10-21;/h5-7,13,28H,2-4,9-10,12H2,1H3,(H2,23,24,25);1H