5-[[3-bromanyl-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[3-bromanyl-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-bromo-4-(2-morpholino-2-oxo-ethoxy)phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-bromo-4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[3-bromo-4-(2-keto-2-morpholino-ethoxy)benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H16BrN3O5S MolecularWeight: 454.29504

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)Br

Isomeric SMILES

C1COCCN1C(=O)COC2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)Br

InChI

InChI=1S/C17H16BrN3O5S/c18-12-8-10(7-11-15(23)19-17(27)20-16(11)24)1-2-13(12)26-9-14(22)21-3-5-25-6-4-21/h1-2,7-8H,3-6,9H2,(H2,19,20,23,24,27)