1-(3-bromophenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(3-bromophenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3-bromophenyl)-5-[(4-prop-2-ynoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3-bromophenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3-bromophenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3-bromophenyl)-5-(4-propargyloxybenzylidene)barbituric acid Formula: C20H13BrN2O4 MolecularWeight: 425.23222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C#CCOC1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H13BrN2O4/c1-2-10-27-16-8-6-13(7-9-16)11-17-18(24)22-20(26)23(19(17)25)15-5-3-4-14(21)12-15/h1,3-9,11-12H,10H2,(H,22,24,26)