1-[(E)-2-[6-azanyl-8-(3-fluorophenyl)-9-propyl-purin-2-yl]ethenyl]cyclobutan-1-ol

Systemtic Name: 1-[(E)-2-[6-azanyl-8-(3-fluorophenyl)-9-propyl-purin-2-yl]ethenyl]cyclobutan-1-ol Openeye Name: 1-[(E)-2-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]vinyl]cyclobutanol CAS Name: 1-[(E)-2-[6-amino-8-(3-fluorophenyl)-9-propyl-2-purinyl]ethenyl]-1-cyclobutanol IUPAC Name: 1-[(E)-2-[6-amino-8-(3-fluorophenyl)-9-propylpurin-2-yl]ethenyl]cyclobutan-1-ol Traditional Name: 1-[(E)-2-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]vinyl]cyclobutanol Formula: C20H22FN5O MolecularWeight: 367.419983

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C=CC3(CCC3)O)N)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)/C=C/C3(CCC3)O)N)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C20H22FN5O/c1-2-11-26-18(13-5-3-6-14(21)12-13)25-16-17(22)23-15(24-19(16)26)7-10-20(27)8-4-9-20/h3,5-7,10,12,27H,2,4,8-9,11H2,1H3,(H2,22,23,24)/b10-7+