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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCNC(=O)CN1C=C(C(=O)N=C1SCC2=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)21-36-20-26(17-25-18-32-23-33-19-25)29(38)35-30(36)39-22-24-12-14-27(31)15-13-24/h12-15,18-20,23H,2-11,16-17,21-22H2,1H3,(H,34,37)