3-ethyl-N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-ethyl-N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-ethyl-N-[(2-morpholino-4-pyridyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-N-[[2-(4-morpholinyl)-4-pyridinyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-ethyl-N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-4-keto-N-[(2-morpholino-4-pyridyl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=NC=C3)N4CCOCC4)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=NC=C3)N4CCOCC4)NC1=S

InChI

InChI=1S/C21H23N5O3S/c1-2-26-20(28)16-4-3-15(12-17(16)24-21(26)30)19(27)23-13-14-5-6-22-18(11-14)25-7-9-29-10-8-25/h3-6,11-12H,2,7-10,13H2,1H3,(H,23,27)(H,24,30)