5-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-(4-hydroxy-3-iodo-5-methoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C15H13IN2O4S MolecularWeight: 444.24419

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)I)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)I)O

InChI

InChI=1S/C15H13IN2O4S/c1-3-4-18-14(21)9(13(20)17-15(18)23)5-8-6-10(16)12(19)11(7-8)22-2/h3,5-7,19H,1,4H2,2H3,(H,17,20,23)