2-[(3-chlorophenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-3-[2-(4-morpholin-4-iumyl)ethyl]-4-quinazolinone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-3-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-one Formula: C21H23ClN3O2S+ MolecularWeight: 416.94422

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1COCC[NH+]1CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H22ClN3O2S/c22-17-5-3-4-16(14-17)15-28-21-23-19-7-2-1-6-18(19)20(26)25(21)9-8-24-10-12-27-13-11-24/h1-7,14H,8-13,15H2/p+1