5-[(3-chloranyl-4,5-diethoxy-phenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(3-chloranyl-4,5-diethoxy-phenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-chloro-4,5-diethoxy-phenyl)methylene]-1-cyclohexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-chloro-4,5-diethoxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-chloro-4,5-diethoxyphenyl)methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-chloro-4,5-diethoxy-benzylidene)-1-cyclohexyl-barbituric acid Formula: C21H25ClN2O5 MolecularWeight: 420.8866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)Cl)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)Cl)OCC

InChI

InChI=1S/C21H25ClN2O5/c1-3-28-17-12-13(11-16(22)18(17)29-4-2)10-15-19(25)23-21(27)24(20(15)26)14-8-6-5-7-9-14/h10-12,14H,3-9H2,1-2H3,(H,23,25,27)