N-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(2-methylpropyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(2-methylpropyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-hydroxy-3-isobutyl-6-oxo-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[[4-hydroxy-3-(2-methylpropyl)-6-oxo-1H-pyrimidin-3-ium-2-yl]thio]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[[4-hydroxy-3-(2-methylpropyl)-6-oxo-1H-pyrimidin-3-ium-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[(4-hydroxy-3-isobutyl-6-keto-1H-pyrimidin-3-ium-2-yl)thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C14H19N4O4S+ MolecularWeight: 339.39006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=[N+](C(=CC(=O)N2)O)CC(C)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=[N+](C(=CC(=O)N2)O)CC(C)C

InChI

InChI=1S/C14H18N4O4S/c1-8(2)6-18-13(21)5-11(19)16-14(18)23-7-12(20)15-10-4-9(3)22-17-10/h4-5,8H,6-7H2,1-3H3,(H2,15,17,19,20,21)/p+1