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

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]quinazolin-4-one Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-3-[[4-(2-thienyl)thiazol-2-yl]methyl]quinazolin-4-one CAS Name: 2-(4-morpholin-4-iumylmethyl)-3-[(4-thiophen-2-yl-2-thiazolyl)methyl]-4-quinazolinone IUPAC Name: 2-(morpholin-4-ium-4-ylmethyl)-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]quinazolin-4-one Traditional Name: 2-(morpholin-4-ium-4-ylmethyl)-3-[[4-(2-thienyl)thiazol-2-yl]methyl]quinazolin-4-one Formula: C21H21N4O2S2+ MolecularWeight: 425.54704

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC4=NC(=CS4)C5=CC=CS5

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC4=NC(=CS4)C5=CC=CS5

InChI

InChI=1S/C21H20N4O2S2/c26-21-15-4-1-2-5-16(15)22-19(12-24-7-9-27-10-8-24)25(21)13-20-23-17(14-29-20)18-6-3-11-28-18/h1-6,11,14H,7-10,12-13H2/p+1