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

Systemtic Name: 5-[(4-bromanyl-5-phenylsulfanyl-furan-2-yl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-bromo-5-phenylsulfanyl-2-furyl)methylene]-1-cyclohexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[4-bromo-5-(phenylthio)-2-furanyl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(4-bromo-5-phenylsulfanylfuran-2-yl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[4-bromo-5-(phenylthio)-2-furyl]methylene]-1-cyclohexyl-barbituric acid Formula: C21H19BrN2O4S MolecularWeight: 475.35556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=CC3=CC(=C(O3)SC4=CC=CC=C4)Br)C(=O)NC2=O

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=CC3=CC(=C(O3)SC4=CC=CC=C4)Br)C(=O)NC2=O

InChI

InChI=1S/C21H19BrN2O4S/c22-17-12-14(28-20(17)29-15-9-5-2-6-10-15)11-16-18(25)23-21(27)24(19(16)26)13-7-3-1-4-8-13/h2,5-6,9-13H,1,3-4,7-8H2,(H,23,25,27)