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(5Z)-1-Allyl-5-(3,4-dihydroxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione hydrate (1:1)

ChemSpider ID: 4655744
Molecular Formula: C₁₄H₁₄N₂O₅S
Average mass: 322.336395 Da
Monoisotopic mass: 322.062347 Da
Systematic name

(5Z)-1-Allyl-5-(3,4-dihydroxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione hydrate (1:1)
SMILES and InChIs

SMILES:

S=C1N(C(=O)C(\C(=O)N1)=C/c2ccc(O)c(O)c2)C/C=C.O Copied

Std. InChI:

InChI=1S/C14H12N2O4S.H2O/c1-2-5-16-13(20)9(12(19)15-14(16)21)6-8-3-4-10(17)11(18)7-8;/h2-4,6-7,17-18H,1,5H2,(H,15,19,21);1H2/b9-6-; Copied

Std. InChIKey:

PJXJHCBRPLMZFR-BORNJIKYSA-N Copied
Cite this record
CSID:4655744, http://www.chemspider.com/Chemical-Structure.4655744.html (accessed 00:18, May 20, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

1-allyl-5-(3,4-dihydroxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione hydrate

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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