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

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-1-(2-furylmethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[(2-fluorophenyl)methylthio]-1-(2-furanylmethyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[(2-fluorobenzyl)thio]-1-(2-furfuryl)-5-(5-pyrimidylmethyl)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(=CN2CC3=CC=CO3)CC4=CN=CN=C4)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC(=O)C(=CN2CC3=CC=CO3)CC4=CN=CN=C4)F

InChI

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