2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-6-dodecyl-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-6-dodecyl-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[(3,4-difluorophenyl)methylsulfanyl]-6-dodecyl-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[(3,4-difluorophenyl)methylthio]-6-dodecyl-5-(5-pyrimidinylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(3,4-difluorophenyl)methylsulfanyl]-6-dodecyl-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-[(3,4-difluorobenzyl)thio]-6-lauryl-5-(5-pyrimidylmethyl)-1H-pyrimidin-4-one Formula: C28H36F2N4OS MolecularWeight: 514.673446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=O)N=C(N1)SCC2=CC(=C(C=C2)F)F)CC3=CN=CN=C3

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=O)N=C(N1)SCC2=CC(=C(C=C2)F)F)CC3=CN=CN=C3

InChI

InChI=1S/C28H36F2N4OS/c1-2-3-4-5-6-7-8-9-10-11-12-26-23(15-22-17-31-20-32-18-22)27(35)34-28(33-26)36-19-21-13-14-24(29)25(30)16-21/h13-14,16-18,20H,2-12,15,19H2,1H3,(H,33,34,35)