1-tert-butyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-tert-butyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-tert-butyl-5-[(4-hydroxy-3-methoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-tert-butyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-tert-butyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-tert-butyl-5-vanillylidene-barbituric acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=CC2=CC(=C(C=C2)O)OC)C(=O)NC1=O

Isomeric SMILES

CC(C)(C)N1C(=O)C(=CC2=CC(=C(C=C2)O)OC)C(=O)NC1=O

InChI

InChI=1S/C16H18N2O5/c1-16(2,3)18-14(21)10(13(20)17-15(18)22)7-9-5-6-11(19)12(8-9)23-4/h5-8,19H,1-4H3,(H,17,20,22)