5-(3-methylbutyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-oxidanyl-1-phenyl-pyrimidin-4-one

Systemtic Name: 5-(3-methylbutyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-oxidanyl-1-phenyl-pyrimidin-4-one Openeye Name: 6-hydroxy-5-isopentyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1-phenyl-pyrimidin-4-one CAS Name: 6-hydroxy-5-(3-methylbutyl)-2-[2-(4-morpholin-4-iumyl)ethylthio]-1-phenyl-4-pyrimidinone IUPAC Name: 6-hydroxy-5-(3-methylbutyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1-phenylpyrimidin-4-one Traditional Name: 6-hydroxy-5-isoamyl-2-(2-morpholin-4-ium-4-ylethylthio)-1-phenyl-pyrimidin-4-one Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(N(C(=NC1=O)SCC[NH+]2CCOCC2)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)CCC1=C(N(C(=NC1=O)SCC[NH+]2CCOCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H29N3O3S/c1-16(2)8-9-18-19(25)22-21(28-15-12-23-10-13-27-14-11-23)24(20(18)26)17-6-4-3-5-7-17/h3-7,16,26H,8-15H2,1-2H3/p+1