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

Systemtic Name: methyl 3-(2-morpholin-4-ium-4-ylethyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-morpholin-4-ium-4-ylethyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[2-(4-morpholin-4-iumyl)ethyl]-2-[(3-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-morpholin-4-ium-4-ylethyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 4-keto-3-(2-morpholin-4-ium-4-ylethyl)-2-[(3-nitrobenzyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C23H25N4O6S+ MolecularWeight: 485.5328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CC[NH+]4CCOCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CC[NH+]4CCOCC4

InChI

InChI=1S/C23H24N4O6S/c1-32-22(29)17-5-6-19-20(14-17)24-23(34-15-16-3-2-4-18(13-16)27(30)31)26(21(19)28)8-7-25-9-11-33-12-10-25/h2-6,13-14H,7-12,15H2,1H3/p+1