2-[(4-fluorophenyl)methylsulfanyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1-undecyl-pyrimidin-4-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1-undecyl-pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1-undecyl-pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-5-[(2-methyl-5-pyrimidinyl)methyl]-1-undecyl-4-pyrimidinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[(2-methylpyrimidin-5-yl)methyl]-1-undecylpyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-5-[(2-methylpyrimidin-5-yl)methyl]-1-undecyl-pyrimidin-4-one Formula: C28H37FN4OS MolecularWeight: 496.682983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37FN4OS/c1-3-4-5-6-7-8-9-10-11-16-33-20-25(17-24-18-30-22(2)31-19-24)27(34)32-28(33)35-21-23-12-14-26(29)15-13-23/h12-15,18-20H,3-11,16-17,21H2,1-2H3