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

Systemtic Name: 3-(3-ethoxypropyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-ethoxypropyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-ethoxypropyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-ethoxypropyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-ethoxypropyl)-4-keto-N-(2-morpholin-4-ium-4-ylethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H29N4O4S+ MolecularWeight: 421.53366

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC[NH+]3CCOCC3)NC1=S

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC[NH+]3CCOCC3)NC1=S

InChI

InChI=1S/C20H28N4O4S/c1-2-27-11-3-7-24-19(26)16-5-4-15(14-17(16)22-20(24)29)18(25)21-6-8-23-9-12-28-13-10-23/h4-5,14H,2-3,6-13H2,1H3,(H,21,25)(H,22,29)/p+1