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

Systemtic Name: 1-[(E)-2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethenyl]cyclopentan-1-ol Openeye Name: 1-[(E)-2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]vinyl]cyclopentanol CAS Name: 1-[(E)-2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]ethenyl]-1-cyclopentanol IUPAC Name: 1-[(E)-2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethenyl]cyclopentan-1-ol Traditional Name: 1-[(E)-2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]vinyl]cyclopentanol Formula: C19H20FN5O MolecularWeight: 353.393403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C=CC3(CCCC3)O)N)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)/C=C/C3(CCCC3)O)N)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C19H20FN5O/c1-25-17(12-5-4-6-13(20)11-12)24-15-16(21)22-14(23-18(15)25)7-10-19(26)8-2-3-9-19/h4-7,10-11,26H,2-3,8-9H2,1H3,(H2,21,22,23)/b10-7+