2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-oxidanyl-5-propan-2-yl-1H-pyrimidin-6-one

Systemtic Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-oxidanyl-5-propan-2-yl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-isopropyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[2-(4-morpholin-4-iumyl)ethylthio]-5-propan-2-yl-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5-propan-2-yl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-isopropyl-2-(2-morpholin-4-ium-4-ylethylthio)-1H-pyrimidin-6-one Formula: C13H22N3O3S+ MolecularWeight: 300.39708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=C(NC1=O)SCC[NH+]2CCOCC2)O

Isomeric SMILES

CC(C)C1=C(N=C(NC1=O)SCC[NH+]2CCOCC2)O

InChI

InChI=1S/C13H21N3O3S/c1-9(2)10-11(17)14-13(15-12(10)18)20-8-5-16-3-6-19-7-4-16/h9H,3-8H2,1-2H3,(H2,14,15,17,18)/p+1