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

Systemtic Name: 3-(2-methoxyethyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2-methoxyethyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2-methoxyethyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2-methoxyethyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(2-methoxyethyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H25N4O4S+ MolecularWeight: 393.4805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4S/c1-25-9-8-22-17(24)14-3-2-13(12-15(14)20-18(22)27)16(23)19-4-5-21-6-10-26-11-7-21/h2-3,12H,4-11H2,1H3,(H,19,23)(H,20,27)/p+1