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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CCCC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC3=CN=CN=C3

Isomeric SMILES

CCCCCNC(=O)CCCC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC3=CN=CN=C3

InChI

InChI=1S/C25H30FN5O2S/c1-2-3-4-12-29-23(32)7-5-6-22-21(13-19-14-27-17-28-15-19)24(33)31-25(30-22)34-16-18-8-10-20(26)11-9-18/h8-11,14-15,17H,2-7,12-13,16H2,1H3,(H,29,32)(H,30,31,33)