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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)-1-undecyl-pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)-1-undecyl-pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-5-(5-pyrimidinylmethyl)-1-undecyl-4-pyrimidinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)-1-undecylpyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-5-(5-pyrimidylmethyl)-1-undecyl-pyrimidin-4-one Formula: C27H35FN4OS MolecularWeight: 482.656403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN=CN=C3

Isomeric SMILES

CCCCCCCCCCCN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN=CN=C3

InChI

InChI=1S/C27H35FN4OS/c1-2-3-4-5-6-7-8-9-10-15-32-19-24(16-23-17-29-21-30-18-23)26(33)31-27(32)34-20-22-11-13-25(28)14-12-22/h11-14,17-19,21H,2-10,15-16,20H2,1H3