butyl 3-[2-(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoylamino]benzoate

Systemtic Name: butyl 3-[2-(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoylamino]benzoate Openeye Name: butyl 3-[[2-(2-methylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetyl]amino]benzoate CAS Name: 3-[[2-[2-(methylthio)-6-oxo-4-phenyl-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[2-(2-methylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-[6-keto-2-(methylthio)-4-phenyl-pyrimidin-1-yl]acetyl]amino]benzoic acid butyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C=C(N=C2SC)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C=C(N=C2SC)C3=CC=CC=C3

InChI

InChI=1S/C24H25N3O4S/c1-3-4-13-31-23(30)18-11-8-12-19(14-18)25-21(28)16-27-22(29)15-20(26-24(27)32-2)17-9-6-5-7-10-17/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,25,28)