2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one CAS Name: 2-[(3-methyl-2-quinoxalinyl)methylthio]-3-[3-(4-morpholin-4-iumyl)propyl]-4-quinazolinone IUPAC Name: 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[(3-methylquinoxalin-2-yl)methylthio]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C25H28N5O2S+ MolecularWeight: 462.58712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC3=NC4=CC=CC=C4C(=O)N3CCC[NH+]5CCOCC5

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSC3=NC4=CC=CC=C4C(=O)N3CCC[NH+]5CCOCC5

InChI

InChI=1S/C25H27N5O2S/c1-18-23(27-22-10-5-4-9-21(22)26-18)17-33-25-28-20-8-3-2-7-19(20)24(31)30(25)12-6-11-29-13-15-32-16-14-29/h2-5,7-10H,6,11-17H2,1H3/p+1