2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)-1-(2-thiophen-2-ylethyl)pyrimidin-4-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)-1-(2-thiophen-2-ylethyl)pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)-1-[2-(2-thienyl)ethyl]pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-5-(5-pyrimidinylmethyl)-1-(2-thiophen-2-ylethyl)-4-pyrimidinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)-1-(2-thiophen-2-ylethyl)pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-5-(5-pyrimidylmethyl)-1-[2-(2-thienyl)ethyl]pyrimidin-4-one Formula: C22H19FN4OS2 MolecularWeight: 438.540863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

Isomeric SMILES

C1=CSC(=C1)CCN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

InChI

InChI=1S/C22H19FN4OS2/c23-19-5-3-16(4-6-19)14-30-22-26-21(28)18(10-17-11-24-15-25-12-17)13-27(22)8-7-20-2-1-9-29-20/h1-6,9,11-13,15H,7-8,10,14H2