5-[[3-methoxy-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[3-methoxy-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-methoxy-4-(2-oxo-2-pyrrolidin-1-yl-ethoxy)phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-methoxy-4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-(2-keto-2-pyrrolidino-ethoxy)-3-methoxy-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OCC(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OCC(=O)N3CCCC3

InChI

InChI=1S/C18H19N3O5S/c1-25-14-9-11(8-12-16(23)19-18(27)20-17(12)24)4-5-13(14)26-10-15(22)21-6-2-3-7-21/h4-5,8-9H,2-3,6-7,10H2,1H3,(H2,19,20,23,24,27)