3-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-(3-morpholinopropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[3-(4-morpholinyl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-4-keto-N-(3-morpholinopropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H28N4O5S MolecularWeight: 484.56792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCOCC4)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCOCC4)NC2=S)OC

InChI

InChI=1S/C24H28N4O5S/c1-31-20-7-5-17(15-21(20)32-2)28-23(30)18-6-4-16(14-19(18)26-24(28)34)22(29)25-8-3-9-27-10-12-33-13-11-27/h4-7,14-15H,3,8-13H2,1-2H3,(H,25,29)(H,26,34)