2-[3-(4-ethyl-2-sulfanylidene-1H-pyrimidin-6-yl)propanoylamino]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 2-[3-(4-ethyl-2-sulfanylidene-1H-pyrimidin-6-yl)propanoylamino]-N-oxidanyl-benzeneamine oxide Openeye Name: 2-[3-(4-ethyl-2-thioxo-1H-pyrimidin-6-yl)propanoylamino]-N-hydroxy-benzeneamine oxide CAS Name: 2-[[3-(4-ethyl-2-sulfanylidene-1H-pyrimidin-6-yl)-1-oxopropyl]amino]-N-hydroxybenzeneamine oxide IUPAC Name: 2-[3-(4-ethyl-2-sulfanylidene-1H-pyrimidin-6-yl)propanoylamino]-N-hydroxybenzeneamine oxide Traditional Name: 2-[3-(4-ethyl-2-thioxo-1H-pyrimidin-6-yl)propanoylamino]-N-hydroxy-benzeneamine oxide Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=S)NC(=C1)CCC(=O)NC2=CC=CC=C2[NH+](O)[O-]

Isomeric SMILES

CCC1=NC(=S)NC(=C1)CCC(=O)NC2=CC=CC=C2[NH+](O)[O-]

InChI

InChI=1S/C15H18N4O3S/c1-2-10-9-11(17-15(23)16-10)7-8-14(20)18-12-5-3-4-6-13(12)19(21)22/h3-6,9,19,21H,2,7-8H2,1H3,(H,18,20)(H,16,17,23)