2-[(4-fluorophenyl)methylsulfanyl]-1-(3-nonoxyphenyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(3-nonoxyphenyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(3-nonoxyphenyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-1-(3-nonoxyphenyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(3-nonoxyphenyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-1-(3-nonoxyphenyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C31H35FN4O2S MolecularWeight: 546.698603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=CC(=C1)N2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

Isomeric SMILES

CCCCCCCCCOC1=CC=CC(=C1)N2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

InChI

InChI=1S/C31H35FN4O2S/c1-2-3-4-5-6-7-8-16-38-29-11-9-10-28(18-29)36-21-26(17-25-19-33-23-34-20-25)30(37)35-31(36)39-22-24-12-14-27(32)15-13-24/h9-15,18-21,23H,2-8,16-17,22H2,1H3