3-(3-morpholin-4-ium-4-ylpropyl)-2-[(2-phenylazanyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[(2-phenylazanyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(2-anilinothiazol-4-yl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one CAS Name: 2-[(2-anilino-4-thiazolyl)methylthio]-3-[3-(4-morpholin-4-iumyl)propyl]-4-quinazolinone IUPAC Name: 2-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[(2-anilinothiazol-4-yl)methylthio]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C25H28N5O2S2+ MolecularWeight: 494.65212

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CSC(=N4)NC5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CSC(=N4)NC5=CC=CC=C5

InChI

InChI=1S/C25H27N5O2S2/c31-23-21-9-4-5-10-22(21)28-25(30(23)12-6-11-29-13-15-32-16-14-29)34-18-20-17-33-24(27-20)26-19-7-2-1-3-8-19/h1-5,7-10,17H,6,11-16,18H2,(H,26,27)/p+1