3-(2-methoxyethyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2-methoxyethyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2-methoxyethyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2-methoxyethyl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2-methoxyethyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(2-methoxyethyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H27N4O4S+ MolecularWeight: 407.50708

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC[NH+]3CCOCC3)NC1=S

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC[NH+]3CCOCC3)NC1=S

InChI

InChI=1S/C19H26N4O4S/c1-26-10-9-23-18(25)15-4-3-14(13-16(15)21-19(23)28)17(24)20-5-2-6-22-7-11-27-12-8-22/h3-4,13H,2,5-12H2,1H3,(H,20,24)(H,21,28)/p+1