3-(4,6-dimethoxypyrimidin-2-yl)-N-(3-morpholin-4-ylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(4,6-dimethoxypyrimidin-2-yl)-N-(3-morpholin-4-ylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(4,6-dimethoxypyrimidin-2-yl)-N-(3-morpholinopropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(4,6-dimethoxy-2-pyrimidinyl)-N-[3-(4-morpholinyl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(4,6-dimethoxypyrimidin-2-yl)-N-(3-morpholin-4-ylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4,6-dimethoxypyrimidin-2-yl)-4-keto-N-(3-morpholinopropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H26N6O5S MolecularWeight: 486.54404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCOCC4)NC2=S)OC

Isomeric SMILES

COC1=CC(=NC(=N1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCOCC4)NC2=S)OC

InChI

InChI=1S/C22H26N6O5S/c1-31-17-13-18(32-2)26-21(25-17)28-20(30)15-5-4-14(12-16(15)24-22(28)34)19(29)23-6-3-7-27-8-10-33-11-9-27/h4-5,12-13H,3,6-11H2,1-2H3,(H,23,29)(H,24,34)