1-(2,4-dimethoxyphenyl)-5-[(1-ethyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(2,4-dimethoxyphenyl)-5-[(1-ethyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(2,4-dimethoxyphenyl)-5-[(1-ethyl-2,5-dimethyl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(2,4-dimethoxyphenyl)-5-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(2,4-dimethoxyphenyl)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(2,4-dimethoxyphenyl)-5-[(1-ethyl-2,5-dimethyl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C=C2C(=O)NC(=S)N(C2=O)C3=C(C=C(C=C3)OC)OC)C

Isomeric SMILES

CCN1C(=CC(=C1C)C=C2C(=O)NC(=S)N(C2=O)C3=C(C=C(C=C3)OC)OC)C

InChI

InChI=1S/C21H23N3O4S/c1-6-23-12(2)9-14(13(23)3)10-16-19(25)22-21(29)24(20(16)26)17-8-7-15(27-4)11-18(17)28-5/h7-11H,6H2,1-5H3,(H,22,25,29)