butyl 4-[2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[(3-chlorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(3-chlorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]acetyl]amino]benzoic acid butyl ester Formula: C25H26ClN3O4S MolecularWeight: 500.00964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C25H26ClN3O4S/c1-3-4-12-33-24(32)18-8-10-20(11-9-18)28-22(30)14-21-16(2)27-25(29-23(21)31)34-15-17-6-5-7-19(26)13-17/h5-11,13H,3-4,12,14-15H2,1-2H3,(H,28,30)(H,27,29,31)