2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one CAS Name: 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylthio]-3-[3-(4-morpholin-4-iumyl)propyl]-4-quinazolinone IUPAC Name: 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylthio]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C19H24N5O3S+ MolecularWeight: 402.49056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

CC1=NN=C(O1)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C19H23N5O3S/c1-14-21-22-17(27-14)13-28-19-20-16-6-3-2-5-15(16)18(25)24(19)8-4-7-23-9-11-26-12-10-23/h2-3,5-6H,4,7-13H2,1H3/p+1