2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-oxidanyl-1-phenyl-5-propyl-pyrimidin-4-one

Systemtic Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-oxidanyl-1-phenyl-5-propyl-pyrimidin-4-one Openeye Name: 6-hydroxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1-phenyl-5-propyl-pyrimidin-4-one CAS Name: 6-hydroxy-2-[2-(4-morpholin-4-iumyl)ethylthio]-1-phenyl-5-propyl-4-pyrimidinone IUPAC Name: 6-hydroxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1-phenyl-5-propylpyrimidin-4-one Traditional Name: 6-hydroxy-2-(2-morpholin-4-ium-4-ylethylthio)-1-phenyl-5-propyl-pyrimidin-4-one Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C(=NC1=O)SCC[NH+]2CCOCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCCC1=C(N(C(=NC1=O)SCC[NH+]2CCOCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C19H25N3O3S/c1-2-6-16-17(23)20-19(26-14-11-21-9-12-25-13-10-21)22(18(16)24)15-7-4-3-5-8-15/h3-5,7-8,24H,2,6,9-14H2,1H3/p+1