7-chloranyl-3-(4-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(4-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Openeye Name: 7-chloro-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-3-(p-tolyl)quinazolin-4-one CAS Name: 7-chloro-3-(4-methylphenyl)-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(4-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Traditional Name: 7-chloro-2-(2-morpholin-4-ium-4-ylethylthio)-3-(p-tolyl)quinazolin-4-one Formula: C21H23ClN3O2S+ MolecularWeight: 416.94422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC[NH+]4CCOCC4

InChI

InChI=1S/C21H22ClN3O2S/c1-15-2-5-17(6-3-15)25-20(26)18-7-4-16(22)14-19(18)23-21(25)28-13-10-24-8-11-27-12-9-24/h2-7,14H,8-13H2,1H3/p+1