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

Systemtic Name: 5-[(4-heptylphenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-heptylphenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(4-heptylphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(4-heptylphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-heptylbenzylidene)barbituric acid Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C=C2C(=O)NC(=O)NC2=O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C=C2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C18H22N2O3/c1-2-3-4-5-6-7-13-8-10-14(11-9-13)12-15-16(21)19-18(23)20-17(15)22/h8-12H,2-7H2,1H3,(H2,19,20,21,22,23)