N-dodecyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-dodecyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-yl]ethanamide Openeye Name: N-dodecyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-yl]acetamide CAS Name: N-dodecyl-2-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1H-pyrimidin-6-yl]acetamide IUPAC Name: N-dodecyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-yl]acetamide Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)-1H-pyrimidin-6-yl]-N-lauryl-acetamide Formula: C30H40FN5O2S MolecularWeight: 553.734303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC3=CN=CN=C3

Isomeric SMILES

CCCCCCCCCCCCNC(=O)CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC3=CN=CN=C3

InChI

InChI=1S/C30H40FN5O2S/c1-2-3-4-5-6-7-8-9-10-11-16-34-28(37)18-27-26(17-24-19-32-22-33-20-24)29(38)36-30(35-27)39-21-23-12-14-25(31)15-13-23/h12-15,19-20,22H,2-11,16-18,21H2,1H3,(H,34,37)(H,35,36,38)