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

Systemtic Name: 1-cyclohexyl-5-[(3-iodanyl-4-prop-2-ynoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-cyclohexyl-5-[(3-iodo-4-prop-2-ynoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[(3-iodo-4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[(3-iodo-4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-cyclohexyl-5-(3-iodo-4-propargyloxy-benzylidene)barbituric acid Formula: C20H19IN2O4 MolecularWeight: 478.28033

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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)C3CCCCC3)I

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)I

InChI

InChI=1S/C20H19IN2O4/c1-2-10-27-17-9-8-13(12-16(17)21)11-15-18(24)22-20(26)23(19(15)25)14-6-4-3-5-7-14/h1,8-9,11-12,14H,3-7,10H2,(H,22,24,26)