3-(5-methylpyridin-2-yl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-quinazolin-3-ium-4-one

Systemtic Name: 3-(5-methylpyridin-2-yl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-quinazolin-3-ium-4-one Openeye Name: 3-(5-methyl-2-pyridyl)-2-(2-morpholinoethylsulfanyl)-1H-quinazolin-3-ium-4-one CAS Name: 3-(5-methyl-2-pyridinyl)-2-[2-(4-morpholinyl)ethylthio]-1H-quinazolin-3-ium-4-one IUPAC Name: 3-(5-methylpyridin-2-yl)-2-(2-morpholin-4-ylethylsulfanyl)-1H-quinazolin-3-ium-4-one Traditional Name: 3-(5-methyl-2-pyridyl)-2-(2-morpholinoethylthio)-1H-quinazolin-3-ium-4-one Formula: C20H23N4O2S+ MolecularWeight: 383.48722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCCN4CCOCC4

Isomeric SMILES

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCCN4CCOCC4

InChI

InChI=1S/C20H22N4O2S/c1-15-6-7-18(21-14-15)24-19(25)16-4-2-3-5-17(16)22-20(24)27-13-10-23-8-11-26-12-9-23/h2-7,14H,8-13H2,1H3/p+1