4-methyl-6-methylsulfanyl-3-oxidanidyl-2-propan-2-yl-quinazolin-3-ium

Systemtic Name: 4-methyl-6-methylsulfanyl-3-oxidanidyl-2-propan-2-yl-quinazolin-3-ium Openeye Name: 2-isopropyl-4-methyl-6-methylsulfanyl-3-oxido-quinazolin-3-ium CAS Name: 4-methyl-6-(methylthio)-3-oxido-2-propan-2-ylquinazolin-3-ium IUPAC Name: 4-methyl-6-methylsulfanyl-3-oxido-2-propan-2-ylquinazolin-3-ium Traditional Name: 2-isopropyl-4-methyl-6-(methylthio)-3-oxido-quinazolin-3-ium Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC2=C1C=C(C=C2)SC)C(C)C)[O-]

Isomeric SMILES

CC1=[N+](C(=NC2=C1C=C(C=C2)SC)C(C)C)[O-]

InChI

InChI=1S/C13H16N2OS/c1-8(2)13-14-12-6-5-10(17-4)7-11(12)9(3)15(13)16/h5-8H,1-4H3