2-[(2-fluorophenyl)methylsulfanyl]-6-(furan-2-ylmethyl)-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-(furan-2-ylmethyl)-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-(2-furylmethyl)-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[(2-fluorophenyl)methylthio]-6-(2-furanylmethyl)-5-(5-pyrimidinylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-(furan-2-ylmethyl)-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-[(2-fluorobenzyl)thio]-6-(2-furfuryl)-5-(5-pyrimidylmethyl)-1H-pyrimidin-4-one Formula: C21H17FN4O2S MolecularWeight: 408.448683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC(=O)C(=C(N2)CC3=CC=CO3)CC4=CN=CN=C4)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC(=O)C(=C(N2)CC3=CC=CO3)CC4=CN=CN=C4)F

InChI

InChI=1S/C21H17FN4O2S/c22-18-6-2-1-4-15(18)12-29-21-25-19(9-16-5-3-7-28-16)17(20(27)26-21)8-14-10-23-13-24-11-14/h1-7,10-11,13H,8-9,12H2,(H,25,26,27)