5-[(4-bromanyl-5-morpholin-4-yl-furan-2-yl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(4-bromanyl-5-morpholin-4-yl-furan-2-yl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-bromo-5-morpholino-2-furyl)methylene]-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-bromo-5-(4-morpholinyl)-2-furanyl]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4-bromo-5-morpholin-4-ylfuran-2-yl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(4-bromo-5-morpholino-2-furyl)methylene]-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H18BrN3O5S MolecularWeight: 492.34302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(O3)N4CCOCC4)Br)C(=O)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(O3)N4CCOCC4)Br)C(=O)NC2=S

InChI

InChI=1S/C20H18BrN3O5S/c1-27-13-4-2-12(3-5-13)24-18(26)15(17(25)22-20(24)30)10-14-11-16(21)19(29-14)23-6-8-28-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,22,25,30)