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

Systemtic Name: 1-(4-ethoxyphenyl)-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethoxyphenyl)-5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-ethoxyphenyl)-5-[[3-(1-imidazolyl)propylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-ethoxyphenyl)-5-[(3-imidazol-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(3-imidazol-1-ylpropylamino)methylene]-1-p-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)NC2=S

InChI

InChI=1S/C19H21N5O3S/c1-2-27-15-6-4-14(5-7-15)24-18(26)16(17(25)22-19(24)28)12-20-8-3-10-23-11-9-21-13-23/h4-7,9,11-13,20H,2-3,8,10H2,1H3,(H,22,25,28)