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

Systemtic Name: 1-(3,4-dimethylphenyl)-5-[(3-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3,4-dimethylphenyl)-5-[(3-prop-2-ynoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3,4-dimethylphenyl)-5-[(3-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3,4-dimethylphenyl)-5-[(3-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3,4-dimethylphenyl)-5-(3-propargyloxybenzylidene)barbituric acid Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O4/c1-4-10-28-18-7-5-6-16(12-18)13-19-20(25)23-22(27)24(21(19)26)17-9-8-14(2)15(3)11-17/h1,5-9,11-13H,10H2,2-3H3,(H,23,25,27)