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

Systemtic Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-oxidanyl-5-pentyl-1-phenyl-pyrimidin-4-one Openeye Name: 6-hydroxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5-pentyl-1-phenyl-pyrimidin-4-one CAS Name: 6-hydroxy-2-[2-(4-morpholin-4-iumyl)ethylthio]-5-pentyl-1-phenyl-4-pyrimidinone IUPAC Name: 6-hydroxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5-pentyl-1-phenylpyrimidin-4-one Traditional Name: 5-amyl-6-hydroxy-2-(2-morpholin-4-ium-4-ylethylthio)-1-phenyl-pyrimidin-4-one Formula: C21H30N3O3S+ MolecularWeight: 404.5462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C(=NC1=O)SCC[NH+]2CCOCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCCCCC1=C(N(C(=NC1=O)SCC[NH+]2CCOCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H29N3O3S/c1-2-3-5-10-18-19(25)22-21(28-16-13-23-11-14-27-15-12-23)24(20(18)26)17-8-6-4-7-9-17/h4,6-9,26H,2-3,5,10-16H2,1H3/p+1