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

Systemtic Name: 5-[[(3-bromanyl-4-morpholin-4-yl-phenyl)amino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-bromo-4-morpholino-anilino)methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-bromo-4-(4-morpholinyl)anilino]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-bromo-4-morpholin-4-ylanilino)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(3-bromo-4-morpholino-anilino)methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H17BrN4O3S MolecularWeight: 425.30018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CNC2=CC(=C(C=C2)N3CCOCC3)Br)C(=O)NC1=S

Isomeric SMILES

CN1C(=O)C(=CNC2=CC(=C(C=C2)N3CCOCC3)Br)C(=O)NC1=S

InChI

InChI=1S/C16H17BrN4O3S/c1-20-15(23)11(14(22)19-16(20)25)9-18-10-2-3-13(12(17)8-10)21-4-6-24-7-5-21/h2-3,8-9,18H,4-7H2,1H3,(H,19,22,25)