(E)-3-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]hept-5-en-3-ol hydrochloride

Systemtic Name: (E)-3-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]hept-5-en-3-ol hydrochloride Openeye Name: (E)-3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]hept-5-en-3-ol hydrochloride CAS Name: (E)-3-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-5-hepten-3-ol hydrochloride IUPAC Name: (E)-3-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]hept-5-en-3-ol hydrochloride Traditional Name: (E)-3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]hept-5-en-3-ol hydrochloride Formula: C19H23ClFN5O MolecularWeight: 391.870223

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC=CC)(C1=NC2=C(C(=N1)N)N=C(N2C)C3=CC(=CC=C3)F)O.Cl

Isomeric SMILES

CCC(C/C=C/C)(C1=NC2=C(C(=N1)N)N=C(N2C)C3=CC(=CC=C3)F)O.Cl

InChI

InChI=1S/C19H22FN5O.ClH/c1-4-6-10-19(26,5-2)18-23-15(21)14-17(24-18)25(3)16(22-14)12-8-7-9-13(20)11-12;/h4,6-9,11,26H,5,10H2,1-3H3,(H2,21,23,24);1H/b6-4+;