2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-1-dodecyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-1-dodecyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[(3,4-difluorophenyl)methylsulfanyl]-1-dodecyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[(3,4-difluorophenyl)methylthio]-1-dodecyl-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[(3,4-difluorophenyl)methylsulfanyl]-1-dodecyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[(3,4-difluorobenzyl)thio]-1-lauryl-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C28H36F2N4OS MolecularWeight: 514.673446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C=C(C(=O)N=C1SCC2=CC(=C(C=C2)F)F)CC3=CN=CN=C3

Isomeric SMILES

CCCCCCCCCCCCN1C=C(C(=O)N=C1SCC2=CC(=C(C=C2)F)F)CC3=CN=CN=C3

InChI

InChI=1S/C28H36F2N4OS/c1-2-3-4-5-6-7-8-9-10-11-14-34-19-24(15-23-17-31-21-32-18-23)27(35)33-28(34)36-20-22-12-13-25(29)26(30)16-22/h12-13,16-19,21H,2-11,14-15,20H2,1H3