N-[6-azanyl-2-[2,4-bis(oxidanylidene)pentan-3-ylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[6-azanyl-2-[2,4-bis(oxidanylidene)pentan-3-ylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[2-(1-acetyl-2-oxo-propyl)sulfanyl-6-amino-4-oxo-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-amino-2-(2,4-dioxopentan-3-ylthio)-4-oxo-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-amino-2-(2,4-dioxopentan-3-ylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[2-[(1-acetyl-2-keto-propyl)thio]-6-amino-4-keto-1H-pyrimidin-5-yl]benzamide Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2

InChI

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