(5E)-1-tert-butyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: (5E)-1-tert-butyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: (5E)-1-tert-butyl-5-[(4-pyrrolidin-1-ylphenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: (5E)-1-tert-butyl-5-[[4-(1-pyrrolidinyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: (5E)-1-tert-butyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: (5E)-1-tert-butyl-5-(4-pyrrolidinobenzylidene)barbituric acid Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=CC2=CC=C(C=C2)N3CCCC3)C(=O)NC1=O

Isomeric SMILES

CC(C)(C)N1C(=O)/C(=C/C2=CC=C(C=C2)N3CCCC3)/C(=O)NC1=O

InChI

InChI=1S/C19H23N3O3/c1-19(2,3)22-17(24)15(16(23)20-18(22)25)12-13-6-8-14(9-7-13)21-10-4-5-11-21/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,23,25)/b15-12+