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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-5-[(3-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3-chloro-4-methyl-phenyl)-5-[(3-prop-2-ynoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3-chloro-4-methylphenyl)-5-[(3-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3-chloro-4-methylphenyl)-5-[(3-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3-chloro-4-methyl-phenyl)-5-(3-propargyloxybenzylidene)barbituric acid Formula: C21H15ClN2O4 MolecularWeight: 394.8078

Click to see the large picture

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN2O4/c1-3-9-28-16-6-4-5-14(10-16)11-17-19(25)23-21(27)24(20(17)26)15-8-7-13(2)18(22)12-15/h1,4-8,10-12H,9H2,2H3,(H,23,25,27)