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

Systemtic Name: butyl 4-[2-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C)CC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C)CC

InChI

InChI=1S/C20H25N3O4S/c1-4-6-11-27-19(26)14-7-9-15(10-8-14)22-17(24)12-28-20-21-13(3)16(5-2)18(25)23-20/h7-10H,4-6,11-12H2,1-3H3,(H,22,24)(H,21,23,25)