5-[(4,5-dimethoxy-2-nitro-phenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(4,5-dimethoxy-2-nitro-phenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4,5-dimethoxy-2-nitro-phenyl)methylene]-1-(3-ethoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4,5-dimethoxy-2-nitro-benzylidene)-1-m-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C(=O)NC2=S

InChI

InChI=1S/C21H19N3O7S/c1-4-31-14-7-5-6-13(10-14)23-20(26)15(19(25)22-21(23)32)8-12-9-17(29-2)18(30-3)11-16(12)24(27)28/h5-11H,4H2,1-3H3,(H,22,25,32)