5,6-dimethyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[2-(4-morpholin-4-iumyl)ethylthio]-1H-pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-(2-morpholin-4-ium-4-ylethylthio)-1H-pyrimidin-4-one Formula: C12H20N3O2S+ MolecularWeight: 270.3711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC[NH+]2CCOCC2)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC[NH+]2CCOCC2)C

InChI

InChI=1S/C12H19N3O2S/c1-9-10(2)13-12(14-11(9)16)18-8-5-15-3-6-17-7-4-15/h3-8H2,1-2H3,(H,13,14,16)/p+1