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

Systemtic Name: 5-[[1-(3-bromanyl-4-morpholin-4-yl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-(3-bromo-4-morpholino-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-[3-bromo-4-(4-morpholinyl)phenyl]-2,5-dimethyl-3-pyrrolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(3-bromo-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-(3-bromo-4-morpholino-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H21BrN4O3S MolecularWeight: 489.38544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)Br)C)C=C4C(=O)NC(=S)NC4=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)Br)C)C=C4C(=O)NC(=S)NC4=O

InChI

InChI=1S/C21H21BrN4O3S/c1-12-9-14(10-16-19(27)23-21(30)24-20(16)28)13(2)26(12)15-3-4-18(17(22)11-15)25-5-7-29-8-6-25/h3-4,9-11H,5-8H2,1-2H3,(H2,23,24,27,28,30)