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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(2-oxidanylidene-2-piperazin-1-yl-ethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(2-oxo-2-piperazin-1-yl-ethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-1-[2-oxo-2-(1-piperazinyl)ethyl]-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(2-oxo-2-piperazin-1-ylethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-1-(2-keto-2-piperazino-ethyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C22H23FN6O2S MolecularWeight: 454.520423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)CN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

Isomeric SMILES

C1CN(CCN1)C(=O)CN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

InChI

InChI=1S/C22H23FN6O2S/c23-19-3-1-16(2-4-19)14-32-22-27-21(31)18(9-17-10-25-15-26-11-17)12-29(22)13-20(30)28-7-5-24-6-8-28/h1-4,10-12,15,24H,5-9,13-14H2