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

Systemtic Name: butyl 4-[2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[6-methyl-4-oxo-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-keto-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]acetyl]amino]benzoic acid butyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O4S/c1-4-5-15-33-25(32)20-11-13-21(14-12-20)28-23(30)16-22-17(2)27-26(29-24(22)31)34-18(3)19-9-7-6-8-10-19/h6-14,18H,4-5,15-16H2,1-3H3,(H,28,30)(H,27,29,31)