2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[(3,4-difluorophenyl)methylsulfanyl]-1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[(3,4-difluorophenyl)methylthio]-1-(9-phenylnonyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[(3,4-difluorophenyl)methylsulfanyl]-1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[(3,4-difluorobenzyl)thio]-1-(9-phenylnonyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C31H34F2N4OS MolecularWeight: 548.689666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCCN2C=C(C(=O)N=C2SCC3=CC(=C(C=C3)F)F)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCCN2C=C(C(=O)N=C2SCC3=CC(=C(C=C3)F)F)CC4=CN=CN=C4

InChI

InChI=1S/C31H34F2N4OS/c32-28-15-14-25(18-29(28)33)22-39-31-36-30(38)27(17-26-19-34-23-35-20-26)21-37(31)16-10-5-3-1-2-4-7-11-24-12-8-6-9-13-24/h6,8-9,12-15,18-21,23H,1-5,7,10-11,16-17,22H2