N-[6-acetamido-4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[6-acetamido-4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-1H-pyrimidin-5-yl]benzamide Openeye Name: N-(6-acetamido-2-acetonylsulfanyl-4-oxo-1H-pyrimidin-5-yl)benzamide CAS Name: N-[6-acetamido-4-oxo-2-(2-oxopropylthio)-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-acetamido-4-oxo-2-(2-oxopropylsulfanyl)-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-acetamido-2-(acetonylthio)-4-keto-1H-pyrimidin-5-yl]benzamide Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)CSC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16N4O4S/c1-9(21)8-25-16-19-13(17-10(2)22)12(15(24)20-16)18-14(23)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,18,23)(H2,17,19,20,22,24)