3-[[4-(5-bromanylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one

Systemtic Name: 3-[[4-(5-bromanylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one Openeye Name: 3-[[4-(5-bromo-2-thienyl)thiazol-2-yl]methyl]-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one CAS Name: 3-[[4-(5-bromo-2-thiophenyl)-2-thiazolyl]methyl]-2-(4-morpholin-4-iumylmethyl)-4-quinazolinone IUPAC Name: 3-[[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one Traditional Name: 3-[[4-(5-bromo-2-thienyl)thiazol-2-yl]methyl]-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one Formula: C21H20BrN4O2S2+ MolecularWeight: 504.4431

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC4=NC(=CS4)C5=CC=C(S5)Br

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC4=NC(=CS4)C5=CC=C(S5)Br

InChI

InChI=1S/C21H19BrN4O2S2/c22-18-6-5-17(30-18)16-13-29-20(24-16)12-26-19(11-25-7-9-28-10-8-25)23-15-4-2-1-3-14(15)21(26)27/h1-6,13H,7-12H2/p+1