methyl 3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-(3-morpholin-4-ium-4-ylpropyl)-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H22N3O4S+ MolecularWeight: 364.43928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC[NH+]3CCOCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC[NH+]3CCOCC3

InChI

InChI=1S/C17H21N3O4S/c1-23-16(22)12-3-4-13-14(11-12)18-17(25)20(15(13)21)6-2-5-19-7-9-24-10-8-19/h3-4,11H,2,5-10H2,1H3,(H,18,25)/p+1