N-(2-morpholin-4-ium-4-ylethyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)hexanamide Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C20H28N4O3S/c25-18(21-9-11-23-12-14-27-15-13-23)8-2-1-5-10-24-19(26)16-6-3-4-7-17(16)22-20(24)28/h3-4,6-7H,1-2,5,8-15H2,(H,21,25)(H,22,28)/p+1