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

Systemtic Name: 1-cyclohexyl-5-[(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-cyclohexyl-5-[(3-iodo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-cyclohexyl-5-(3-iodo-5-methoxy-4-propargyloxy-benzylidene)barbituric acid Formula: C21H21IN2O5 MolecularWeight: 508.30631

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)I)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)I)OCC#C

InChI

InChI=1S/C21H21IN2O5/c1-3-9-29-18-16(22)11-13(12-17(18)28-2)10-15-19(25)23-21(27)24(20(15)26)14-7-5-4-6-8-14/h1,10-12,14H,4-9H2,2H3,(H,23,25,27)