1-(furan-2-ylmethyl)-5-[(3-iodanyl-4-prop-2-ynoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(furan-2-ylmethyl)-5-[(3-iodanyl-4-prop-2-ynoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(2-furylmethyl)-5-[(3-iodo-4-prop-2-ynoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(2-furanylmethyl)-5-[(3-iodo-4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(furan-2-ylmethyl)-5-[(3-iodo-4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(2-furfuryl)-5-(3-iodo-4-propargyloxy-benzylidene)barbituric acid Formula: C19H13IN2O5 MolecularWeight: 476.22139

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)CC3=CC=CO3)I

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)CC3=CC=CO3)I

InChI

InChI=1S/C19H13IN2O5/c1-2-7-27-16-6-5-12(10-15(16)20)9-14-17(23)21-19(25)22(18(14)24)11-13-4-3-8-26-13/h1,3-6,8-10H,7,11H2,(H,21,23,25)