butyl 3-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: butyl 3-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 3-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(6-oxo-1H-pyrimidin-2-yl)thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(6-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S/c1-2-3-9-24-16(23)12-5-4-6-13(10-12)19-15(22)11-25-17-18-8-7-14(21)20-17/h4-8,10H,2-3,9,11H2,1H3,(H,19,22)(H,18,20,21)