1-(2-methoxyethyl)-5-[[(2-oxidanylidene-1H-pyrimidin-6-yl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(2-methoxyethyl)-5-[[(2-oxidanylidene-1H-pyrimidin-6-yl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(2-methoxyethyl)-5-[[(2-oxo-1H-pyrimidin-6-yl)amino]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(2-methoxyethyl)-5-[[(2-oxo-1H-pyrimidin-6-yl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(2-methoxyethyl)-5-[[(2-oxo-1H-pyrimidin-6-yl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[(2-keto-1H-pyrimidin-6-yl)amino]methylene]-1-(2-methoxyethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H13N5O4S MolecularWeight: 323.32772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C(=CNC2=CC=NC(=O)N2)C(=O)NC1=S

Isomeric SMILES

COCCN1C(=O)C(=CNC2=CC=NC(=O)N2)C(=O)NC1=S

InChI

InChI=1S/C12H13N5O4S/c1-21-5-4-17-10(19)7(9(18)16-12(17)22)6-14-8-2-3-13-11(20)15-8/h2-3,6H,4-5H2,1H3,(H,16,18,22)(H2,13,14,15,20)