2-[(4-methyl-3-oxidanidyl-quinazolin-3-ium-2-yl)methylsulfanyloxy]ethanol

Systemtic Name: 2-[(4-methyl-3-oxidanidyl-quinazolin-3-ium-2-yl)methylsulfanyloxy]ethanol Openeye Name: 2-[(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methylsulfanyloxy]ethanol CAS Name: (4-methyl-3-oxido-2-quinazolin-3-iumyl)methanesulfenic acid 2-hydroxyethyl ester IUPAC Name: 2-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyloxy]ethanol Traditional Name: 2-[(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methylthio]oxyethanol Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC2=CC=CC=C12)CSOCCO)[O-]

Isomeric SMILES

CC1=[N+](C(=NC2=CC=CC=C12)CSOCCO)[O-]

InChI

InChI=1S/C12H14N2O3S/c1-9-10-4-2-3-5-11(10)13-12(14(9)16)8-18-17-7-6-15/h2-5,15H,6-8H2,1H3