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

Systemtic Name: 5-[(3-iodanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-benzyloxy-3-iodo-5-methoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-benzoxy-3-iodo-5-methoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H15IN2O4S MolecularWeight: 494.30287

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)I)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)I)OCC3=CC=CC=C3

InChI

InChI=1S/C19H15IN2O4S/c1-25-15-9-12(7-13-17(23)21-19(27)22-18(13)24)8-14(20)16(15)26-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,21,22,23,24,27)