1-[2-[6-(4-fluorophenyl)hexoxy]ethyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-[2-[6-(4-fluorophenyl)hexoxy]ethyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-[2-[6-(4-fluorophenyl)hexoxy]ethyl]-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-[2-[6-(4-fluorophenyl)hexoxy]ethyl]-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-[2-[6-(4-fluorophenyl)hexoxy]ethyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-[2-[6-(4-fluorophenyl)hexoxy]ethyl]-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C23H27FN4O2S MolecularWeight: 442.549483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCCOCCN2C=C(C(=O)NC2=S)CC3=CN=CN=C3)F

Isomeric SMILES

C1=CC(=CC=C1CCCCCCOCCN2C=C(C(=O)NC2=S)CC3=CN=CN=C3)F

InChI

InChI=1S/C23H27FN4O2S/c24-21-8-6-18(7-9-21)5-3-1-2-4-11-30-12-10-28-16-20(22(29)27-23(28)31)13-19-14-25-17-26-15-19/h6-9,14-17H,1-5,10-13H2,(H,27,29,31)