methyl 3-(2-morpholin-4-ylethyl)-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2-morpholin-4-ylethyl)-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-morpholinoethyl)-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxylate CAS Name: 3-[2-(4-morpholinyl)ethyl]-4-oxo-2-(phenacylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-morpholin-4-ylethyl)-4-oxo-2-phenacylsulfanylquinazoline-7-carboxylate Traditional Name: 4-keto-3-(2-morpholinoethyl)-2-(phenacylthio)quinazoline-7-carboxylic acid methyl ester Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CCN4CCOCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CCN4CCOCC4

InChI

InChI=1S/C24H25N3O5S/c1-31-23(30)18-7-8-19-20(15-18)25-24(33-16-21(28)17-5-3-2-4-6-17)27(22(19)29)10-9-26-11-13-32-14-12-26/h2-8,15H,9-14,16H2,1H3