2-[5-[[2-[(4-fluorophenyl)methylsulfanyl]-1-[4-[heptyl-(phenylmethyl)carbamoyl]phenyl]-4-oxidanylidene-pyrimidin-5-yl]methyl]-2-oxidanylidene-pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[5-[[2-[(4-fluorophenyl)methylsulfanyl]-1-[4-[heptyl-(phenylmethyl)carbamoyl]phenyl]-4-oxidanylidene-pyrimidin-5-yl]methyl]-2-oxidanylidene-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[5-[[1-[4-[benzyl(heptyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-pyrimidin-5-yl]methyl]-2-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[5-[[2-[(4-fluorophenyl)methylthio]-1-[4-[[heptyl-(phenylmethyl)amino]-oxomethyl]phenyl]-4-oxo-5-pyrimidinyl]methyl]-2-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-[5-[[1-[4-[benzyl(heptyl)carbamoyl]phenyl]-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-5-yl]methyl]-2-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[5-[[1-[4-[benzyl(heptyl)carbamoyl]phenyl]-2-[(4-fluorobenzyl)thio]-4-keto-pyrimidin-5-yl]methyl]-2-keto-pyrimidin-1-yl]acetic acid Formula: C39H40FN5O5S MolecularWeight: 709.828803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)N3C=C(C(=O)N=C3SCC4=CC=C(C=C4)F)CC5=CN(C(=O)N=C5)CC(=O)O

Isomeric SMILES

CCCCCCCN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)N3C=C(C(=O)N=C3SCC4=CC=C(C=C4)F)CC5=CN(C(=O)N=C5)CC(=O)O

InChI

InChI=1S/C39H40FN5O5S/c1-2-3-4-5-9-20-43(23-28-10-7-6-8-11-28)37(49)31-14-18-34(19-15-31)45-25-32(21-30-22-41-38(50)44(24-30)26-35(46)47)36(48)42-39(45)51-27-29-12-16-33(40)17-13-29/h6-8,10-19,22,24-25H,2-5,9,20-21,23,26-27H2,1H3,(H,46,47)