2-[(4-fluorophenyl)methylsulfanyl]-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-1-(2-keto-2-pyrrolidino-ethyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C22H22FN5O2S MolecularWeight: 439.505783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

Isomeric SMILES

C1CCN(C1)C(=O)CN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

InChI

InChI=1S/C22H22FN5O2S/c23-19-5-3-16(4-6-19)14-31-22-26-21(30)18(9-17-10-24-15-25-11-17)12-28(22)13-20(29)27-7-1-2-8-27/h3-6,10-12,15H,1-2,7-9,13-14H2