2-[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]sulfanylethanoate

Systemtic Name: 2-[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]sulfanylethanoate Openeye Name: 2-[2-[(dimethylammonio)methyl]quinazolin-4-yl]sulfanylacetate CAS Name: 2-[[2-[(dimethylammonio)methyl]-4-quinazolinyl]thio]acetate IUPAC Name: 2-[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]sulfanylacetate Traditional Name: 2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]thio]acetate Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)SCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)SCC(=O)[O-]

InChI

InChI=1S/C13H15N3O2S/c1-16(2)7-11-14-10-6-4-3-5-9(10)13(15-11)19-8-12(17)18/h3-6H,7-8H2,1-2H3,(H,17,18)