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

Systemtic Name: butyl 4-[2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-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=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C24H25N3O4S/c1-2-3-13-31-23(30)18-9-11-19(12-10-18)25-21(28)14-20-15-22(29)27-24(26-20)32-16-17-7-5-4-6-8-17/h4-12,15H,2-3,13-14,16H2,1H3,(H,25,28)(H,26,27,29)