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

Systemtic Name: 3-(4-methylpyridin-2-yl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-(4-methyl-2-pyridyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-(4-methyl-2-pyridinyl)-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(4-methylpyridin-2-yl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-(4-methyl-2-pyridyl)-2-(2-morpholin-4-ium-4-ylethylthio)quinazolin-4-one Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCOCC4

InChI

InChI=1S/C20H22N4O2S/c1-15-6-7-21-18(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