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

Systemtic Name: methyl 2-(cyanomethylsulfanyl)-3-(2-morpholin-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(cyanomethylsulfanyl)-3-(2-morpholinoethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-(cyanomethylthio)-3-[2-(4-morpholinyl)ethyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyanomethylsulfanyl)-3-(2-morpholin-4-ylethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(cyanomethylthio)-4-keto-3-(2-morpholinoethyl)quinazoline-7-carboxylic acid methyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CCN3CCOCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CCN3CCOCC3

InChI

InChI=1S/C18H20N4O4S/c1-25-17(24)13-2-3-14-15(12-13)20-18(27-11-4-19)22(16(14)23)6-5-21-7-9-26-10-8-21/h2-3,12H,5-11H2,1H3