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

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-yl]-N-heptyl-ethanamide Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-yl]-N-heptyl-acetamide CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1H-pyrimidin-6-yl]-N-heptylacetamide IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-yl]-N-heptylacetamide Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)-1H-pyrimidin-6-yl]-N-heptyl-acetamide Formula: C25H30FN5O2S MolecularWeight: 483.601403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30FN5O2S/c1-2-3-4-5-6-11-29-23(32)13-22-21(12-19-14-27-17-28-15-19)24(33)31-25(30-22)34-16-18-7-9-20(26)10-8-18/h7-10,14-15,17H,2-6,11-13,16H2,1H3,(H,29,32)(H,30,31,33)