(4-azanylquinazolin-3-ium-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (4-azanylquinazolin-3-ium-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (4-aminoquinazolin-3-ium-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (4-amino-2-quinazolin-3-iumyl)methyl ester IUPAC Name: (4-aminoquinazolin-3-ium-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (4-aminoquinazolin-3-ium-2-yl)methyl ester Formula: C16H15N4O2S+ MolecularWeight: 327.3809

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC2=NC3=CC=CC=C3C(=[NH+]2)N

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC2=NC3=CC=CC=C3C(=[NH+]2)N

InChI

InChI=1S/C16H14N4O2S/c1-23-15-11(6-4-8-18-15)16(21)22-9-13-19-12-7-3-2-5-10(12)14(17)20-13/h2-8H,9H2,1H3,(H2,17,19,20)/p+1