hexyl 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]benzoate

Systemtic Name: hexyl 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]benzoate Openeye Name: hexyl 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]benzoate CAS Name: 4-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]benzoic acid hexyl ester IUPAC Name: hexyl 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]benzoate Traditional Name: 4-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]benzoic acid hexyl ester Formula: C29H29FN4O3S MolecularWeight: 532.628963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)N2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)N2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

InChI

InChI=1S/C29H29FN4O3S/c1-2-3-4-5-14-37-28(36)23-8-12-26(13-9-23)34-18-24(15-22-16-31-20-32-17-22)27(35)33-29(34)38-19-21-6-10-25(30)11-7-21/h6-13,16-18,20H,2-5,14-15,19H2,1H3