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

Systemtic Name: butyl 2-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 2-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 2-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(4-keto-6-propyl-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=CC=C1NC(=O)CSC2=NC(=O)C=C(N2)CCC

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)C=C(N2)CCC

InChI

InChI=1S/C20H25N3O4S/c1-3-5-11-27-19(26)15-9-6-7-10-16(15)22-18(25)13-28-20-21-14(8-4-2)12-17(24)23-20/h6-7,9-10,12H,3-5,8,11,13H2,1-2H3,(H,22,25)(H,21,23,24)