5-[(E)-3-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione hydrate

Systemtic Name: 5-[(E)-3-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione hydrate Openeye Name: 5-[(E)-3-(6-hydroxy-4-oxo-2-thioxo-1H-pyrimidin-5-yl)prop-2-enylidene]-2-thioxo-hexahydropyrimidine-4,6-dione hydrate CAS Name: 5-[(E)-3-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione hydrate IUPAC Name: 5-[(E)-3-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione hydrate Traditional Name: 5-[(E)-3-(6-hydroxy-4-keto-2-thioxo-1H-pyrimidin-5-yl)prop-2-enylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone hydrate Formula: C11H10N4O5S2 MolecularWeight: 342.3509

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Descriptors Computed from Structure

Canonical SMILES:

C(=CC1=C(NC(=S)NC1=O)O)C=C2C(=O)NC(=S)NC2=O.O

Isomeric SMILES

C(=C/C1=C(NC(=S)NC1=O)O)\C=C2C(=O)NC(=S)NC2=O.O

InChI

InChI=1S/C11H8N4O4S2.H2O/c16-6-4(7(17)13-10(20)12-6)2-1-3-5-8(18)14-11(21)15-9(5)19;/h1-3H,(H2,12,13,16,17,20)(H3,14,15,18,19,21);1H2/b3-1+;