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

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(2-morpholin-4-ium-4-ylethyl)-3-(tetrahydrofurfuryl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC[NH+]4CCOCC4)NC2=S

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC[NH+]4CCOCC4)NC2=S

InChI

InChI=1S/C20H26N4O4S/c25-18(21-5-6-23-7-10-27-11-8-23)14-3-4-16-17(12-14)22-20(29)24(19(16)26)13-15-2-1-9-28-15/h3-4,12,15H,1-2,5-11,13H2,(H,21,25)(H,22,29)/p+1