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

Systemtic Name: 1-cyclohexyl-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-cyclohexyl-5-[(5-phenylsulfanyl-2-furyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[[5-(phenylthio)-2-furanyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-cyclohexyl-5-[[5-(phenylthio)-2-furyl]methylene]barbituric acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c24-19-17(20(25)23(21(26)22-19)14-7-3-1-4-8-14)13-15-11-12-18(27-15)28-16-9-5-2-6-10-16/h2,5-6,9-14H,1,3-4,7-8H2,(H,22,24,26)