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

Systemtic Name: 3-cyclopentyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-cyclopentyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-cyclopentyl-N-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-cyclopentyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-cyclopentyl-4-keto-N-(3-morpholin-4-ium-4-ylpropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC[NH+]4CCOCC4)NC2=S

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC[NH+]4CCOCC4)NC2=S

InChI

InChI=1S/C21H28N4O3S/c26-19(22-8-3-9-24-10-12-28-13-11-24)15-6-7-17-18(14-15)23-21(29)25(20(17)27)16-4-1-2-5-16/h6-7,14,16H,1-5,8-13H2,(H,22,26)(H,23,29)/p+1