2-[(4-fluorophenyl)methylsulfanyl]-1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-1-(9-phenylnonyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-1-(9-phenylnonyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C31H35FN4OS MolecularWeight: 530.699203

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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)CC4=CN=CN=C4

Isomeric SMILES

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

InChI

InChI=1S/C31H35FN4OS/c32-29-16-14-26(15-17-29)23-38-31-35-30(37)28(19-27-20-33-24-34-21-27)22-36(31)18-10-5-3-1-2-4-7-11-25-12-8-6-9-13-25/h6,8-9,12-17,20-22,24H,1-5,7,10-11,18-19,23H2