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

Systemtic Name: 1-(4-methylphenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-prop-2-ynoxyphenyl)methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-methylphenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-methylphenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-propargyloxybenzylidene)-1-(p-tolyl)barbituric acid Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC#C)C(=O)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC#C)C(=O)NC2=O

InChI

InChI=1S/C21H16N2O4/c1-3-12-27-17-10-6-15(7-11-17)13-18-19(24)22-21(26)23(20(18)25)16-8-4-14(2)5-9-16/h1,4-11,13H,12H2,2H3,(H,22,24,26)