1-(2,5-dimethoxyphenyl)-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(2,5-dimethoxyphenyl)-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(2,5-dimethoxyphenyl)-5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(2,5-dimethoxyphenyl)-5-[[3-(1-imidazolyl)propylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(2,5-dimethoxyphenyl)-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(2,5-dimethoxyphenyl)-5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=S

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=S

InChI

InChI=1S/C19H21N5O4S/c1-27-13-4-5-16(28-2)15(10-13)24-18(26)14(17(25)22-19(24)29)11-20-6-3-8-23-9-7-21-12-23/h4-5,7,9-12,20H,3,6,8H2,1-2H3,(H,22,25,29)