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

Systemtic Name: 2-[(3-cyclopentyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[(3-cyclopentyl-4-hydroxy-6-oxo-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[(3-cyclopentyl-4-hydroxy-6-oxo-1H-pyrimidin-3-ium-2-yl)thio]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[(3-cyclopentyl-4-hydroxy-6-oxo-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[(3-cyclopentyl-4-hydroxy-6-keto-1H-pyrimidin-3-ium-2-yl)thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C15H19N4O4S+ MolecularWeight: 351.40076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=[N+](C(=CC(=O)N2)O)C3CCCC3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=[N+](C(=CC(=O)N2)O)C3CCCC3

InChI

InChI=1S/C15H18N4O4S/c1-9-6-11(18-23-9)16-13(21)8-24-15-17-12(20)7-14(22)19(15)10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H2,16,18,20,21,22)/p+1