2-[6-azanyl-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-1-ethenyl-cyclopentan-1-ol

Systemtic Name: 2-[6-azanyl-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-1-ethenyl-cyclopentan-1-ol Openeye Name: 2-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-1-vinyl-cyclopentanol CAS Name: 2-[6-amino-9-ethyl-8-(3-fluorophenyl)-2-purinyl]-1-ethenyl-1-cyclopentanol IUPAC Name: 2-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-1-ethenylcyclopentan-1-ol Traditional Name: 2-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-1-vinyl-cyclopentanol Formula: C20H22FN5O MolecularWeight: 367.419983

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)C3CCCC3(C=C)O)N)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)C3CCCC3(C=C)O)N)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C20H22FN5O/c1-3-20(27)10-6-9-14(20)17-24-16(22)15-19(25-17)26(4-2)18(23-15)12-7-5-8-13(21)11-12/h3,5,7-8,11,14,27H,1,4,6,9-10H2,2H3,(H2,22,24,25)