3-[(4-methyl-3-oxidanylidene-4H-quinazolin-3-ium-2-yl)methylsulfanyl]propane-1,2-diol

Systemtic Name: 3-[(4-methyl-3-oxidanylidene-4H-quinazolin-3-ium-2-yl)methylsulfanyl]propane-1,2-diol Openeye Name: 3-[(4-methyl-3-oxo-4H-quinazolin-3-ium-2-yl)methylsulfanyl]propane-1,2-diol CAS Name: 3-[(4-methyl-3-oxo-4H-quinazolin-3-ium-2-yl)methylthio]propane-1,2-diol IUPAC Name: 3-[(4-methyl-3-oxo-4H-quinazolin-3-ium-2-yl)methylsulfanyl]propane-1,2-diol Traditional Name: 3-[(3-keto-4-methyl-4H-quinazolin-3-ium-2-yl)methylthio]propane-1,2-diol Formula: C13H17N2O3S+ MolecularWeight: 281.35068

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2N=C([N+]1=O)CSCC(CO)O

Isomeric SMILES

CC1C2=CC=CC=C2N=C([N+]1=O)CSCC(CO)O

InChI

InChI=1S/C13H17N2O3S/c1-9-11-4-2-3-5-12(11)14-13(15(9)18)8-19-7-10(17)6-16/h2-5,9-10,16-17H,6-8H2,1H3/q+1