5-[(4-decoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(4-decoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-decoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(4-decoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(4-decoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-decoxybenzylidene)barbituric acid Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)NC(=O)NC2=O

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C21H28N2O4/c1-2-3-4-5-6-7-8-9-14-27-17-12-10-16(11-13-17)15-18-19(24)22-21(26)23-20(18)25/h10-13,15H,2-9,14H2,1H3,(H2,22,23,24,25,26)