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

Systemtic Name: 5-[[5-(4-bromanyl-3-methyl-phenyl)furan-2-yl]methylidene]-1-(furan-2-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[5-(4-bromo-3-methyl-phenyl)-2-furyl]methylene]-1-(2-furylmethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[5-(4-bromo-3-methylphenyl)-2-furanyl]methylidene]-1-(2-furanylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methylidene]-1-(furan-2-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[5-(4-bromo-3-methyl-phenyl)-2-furyl]methylene]-1-(2-furfuryl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H15BrN2O4S MolecularWeight: 471.3238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)CC4=CC=CO4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)CC4=CC=CO4)Br

InChI

InChI=1S/C21H15BrN2O4S/c1-12-9-13(4-6-17(12)22)18-7-5-14(28-18)10-16-19(25)23-21(29)24(20(16)26)11-15-3-2-8-27-15/h2-10H,11H2,1H3,(H,23,25,29)