methyl 2-[(2-chlorophenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2-chlorophenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(2-chlorophenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(2-chlorophenyl)methylthio]-3-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chlorophenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(2-chlorobenzyl)thio]-4-keto-3-(2-morpholin-4-ium-4-ylethyl)quinazoline-7-carboxylic acid methyl ester Formula: C23H25ClN3O4S+ MolecularWeight: 474.9803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3Cl)CC[NH+]4CCOCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3Cl)CC[NH+]4CCOCC4

InChI

InChI=1S/C23H24ClN3O4S/c1-30-22(29)16-6-7-18-20(14-16)25-23(32-15-17-4-2-3-5-19(17)24)27(21(18)28)9-8-26-10-12-31-13-11-26/h2-7,14H,8-13,15H2,1H3/p+1