5-[[5-(4-bromanyl-3-methyl-phenyl)furan-2-yl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[5-(4-bromanyl-3-methyl-phenyl)furan-2-yl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[5-(4-bromo-3-methyl-phenyl)-2-furyl]methylene]-1-cyclohexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[5-(4-bromo-3-methylphenyl)-2-furanyl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[5-(4-bromo-3-methyl-phenyl)-2-furyl]methylene]-1-cyclohexyl-barbituric acid Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4)Br

InChI

InChI=1S/C22H21BrN2O4/c1-13-11-14(7-9-18(13)23)19-10-8-16(29-19)12-17-20(26)24-22(28)25(21(17)27)15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,24,26,28)