1-(2,2-dimethylpropyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 1-(2,2-dimethylpropyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 1-(2,2-dimethylpropyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 1-(2,2-dimethylpropyl)-2-[(4-fluorophenyl)methylthio]-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 1-(2,2-dimethylpropyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-1-neopentyl-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C21H23FN4OS MolecularWeight: 398.496923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN=CN=C3

Isomeric SMILES

CC(C)(C)CN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN=CN=C3

InChI

InChI=1S/C21H23FN4OS/c1-21(2,3)13-26-11-17(8-16-9-23-14-24-10-16)19(27)25-20(26)28-12-15-4-6-18(22)7-5-15/h4-7,9-11,14H,8,12-13H2,1-3H3