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

Systemtic Name: butyl 4-[2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetyl]amino]benzoate CAS Name: 4-[[2-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetyl]amino]benzoic acid butyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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)SCC3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4S/c1-3-4-14-32-24(31)19-10-12-20(13-11-19)27-22(29)15-21-17(2)26-25(28-23(21)30)33-16-18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H,27,29)(H,26,28,30)