6-bromanyl-4-methyl-2-(methylsulfanylmethyl)-3-oxidanidyl-quinazolin-3-ium

Systemtic Name: 6-bromanyl-4-methyl-2-(methylsulfanylmethyl)-3-oxidanidyl-quinazolin-3-ium Openeye Name: 6-bromo-4-methyl-2-(methylsulfanylmethyl)-3-oxido-quinazolin-3-ium CAS Name: 6-bromo-4-methyl-2-[(methylthio)methyl]-3-oxidoquinazolin-3-ium IUPAC Name: 6-bromo-4-methyl-2-(methylsulfanylmethyl)-3-oxidoquinazolin-3-ium Traditional Name: 6-bromo-4-methyl-2-[(methylthio)methyl]-3-oxido-quinazolin-3-ium Formula: C11H11BrN2OS MolecularWeight: 299.18684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11BrN2OS/c1-7-9-5-8(12)3-4-10(9)13-11(6-16-2)14(7)15/h3-5H,6H2,1-2H3