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

Systemtic Name: butyl 3-[2-(4-methyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidin-1-yl)ethanoylamino]benzoate Openeye Name: butyl 3-[[2-(4-methyl-6-oxo-2-phenethylsulfanyl-pyrimidin-1-yl)acetyl]amino]benzoate CAS Name: 3-[[2-[4-methyl-6-oxo-2-(phenethylthio)-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[2-(4-methyl-6-oxo-2-phenethylsulfanylpyrimidin-1-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-[6-keto-4-methyl-2-(phenethylthio)pyrimidin-1-yl]acetyl]amino]benzoic acid butyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C

InChI

InChI=1S/C26H29N3O4S/c1-3-4-14-33-25(32)21-11-8-12-22(17-21)28-23(30)18-29-24(31)16-19(2)27-26(29)34-15-13-20-9-6-5-7-10-20/h5-12,16-17H,3-4,13-15,18H2,1-2H3,(H,28,30)