1-[6-azanyl-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-butan-2-ol hydrochloride

Systemtic Name: 1-[6-azanyl-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-butan-2-ol hydrochloride Openeye Name: 1-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-butan-2-ol hydrochloride CAS Name: 1-[6-amino-9-ethyl-8-(3-fluorophenyl)-2-purinyl]-2-methyl-2-butanol hydrochloride IUPAC Name: 1-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-2-methylbutan-2-ol hydrochloride Traditional Name: 1-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-butan-2-ol hydrochloride Formula: C18H23ClFN5O MolecularWeight: 379.859523

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC1=NC2=C(C(=N1)N)N=C(N2CC)C3=CC(=CC=C3)F)O.Cl

Isomeric SMILES

CCC(C)(CC1=NC2=C(C(=N1)N)N=C(N2CC)C3=CC(=CC=C3)F)O.Cl

InChI

InChI=1S/C18H22FN5O.ClH/c1-4-18(3,25)10-13-21-15(20)14-17(22-13)24(5-2)16(23-14)11-7-6-8-12(19)9-11;/h6-9,25H,4-5,10H2,1-3H3,(H2,20,21,22);1H