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

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-bromo-3-methyl-phenyl)-5-[(4-prop-2-ynoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-bromo-3-methylphenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-bromo-3-methylphenyl)-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-bromo-3-methyl-phenyl)-5-(4-propargyloxybenzylidene)barbituric acid Formula: C21H15BrN2O4 MolecularWeight: 439.2588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN2O4/c1-3-10-28-16-7-4-14(5-8-16)12-17-19(25)23-21(27)24(20(17)26)15-6-9-18(22)13(2)11-15/h1,4-9,11-12H,10H2,2H3,(H,23,25,27)