1-(3-chloranyl-4-methyl-phenyl)-5-[(3-methoxy-4-octoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-5-[(3-methoxy-4-octoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3-chloro-4-methyl-phenyl)-5-[(3-methoxy-4-octoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3-chloro-4-methylphenyl)-5-[(3-methoxy-4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3-chloro-4-methylphenyl)-5-[(3-methoxy-4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3-chloro-4-methyl-phenyl)-5-(3-methoxy-4-octoxy-benzylidene)barbituric acid Formula: C27H31ClN2O5 MolecularWeight: 498.99844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl)OC

InChI

InChI=1S/C27H31ClN2O5/c1-4-5-6-7-8-9-14-35-23-13-11-19(16-24(23)34-3)15-21-25(31)29-27(33)30(26(21)32)20-12-10-18(2)22(28)17-20/h10-13,15-17H,4-9,14H2,1-3H3,(H,29,31,33)