3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanidyl-2-sulfanylidene-quinazoline-7-carboxylate

Systemtic Name: 3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanidyl-2-sulfanylidene-quinazoline-7-carboxylate Openeye Name: 3-(2-morpholin-4-ium-4-ylethyl)-4-oxido-2-thioxo-quinazoline-7-carboxylate CAS Name: 3-[2-(4-morpholin-4-iumyl)ethyl]-4-oxido-2-sulfanylidene-7-quinazolinecarboxylate IUPAC Name: 3-(2-morpholin-4-ium-4-ylethyl)-4-oxido-2-sulfanylidenequinazoline-7-carboxylate Traditional Name: 3-(2-morpholin-4-ium-4-ylethyl)-4-oxido-2-thioxo-quinazoline-7-carboxylate Formula: C15H16N3O4S- MolecularWeight: 334.37024

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(=C3C=CC(=CC3=NC2=S)C(=O)[O-])[O-]

Isomeric SMILES

C1COCC[NH+]1CCN2C(=C3C=CC(=CC3=NC2=S)C(=O)[O-])[O-]

InChI

InChI=1S/C15H17N3O4S/c19-13-11-2-1-10(14(20)21)9-12(11)16-15(23)18(13)4-3-17-5-7-22-8-6-17/h1-2,9,19H,3-8H2,(H,20,21)/p-1