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

Systemtic Name: 5-[[3-bromanyl-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-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]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-[3-bromo-4-(2-keto-2-morpholino-ethoxy)benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H20BrN3O5S MolecularWeight: 494.3589

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC(=O)N3CCOCC3)Br)C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC(=O)N3CCOCC3)Br)C(=O)NC1=S

InChI

InChI=1S/C20H20BrN3O5S/c1-2-5-24-19(27)14(18(26)22-20(24)30)10-13-3-4-16(15(21)11-13)29-12-17(25)23-6-8-28-9-7-23/h2-4,10-11H,1,5-9,12H2,(H,22,26,30)