(Q82902860)

English

1,4-Anhydro-1-(5-imino-7-oxo-2,5,6,7-tetrahydropyrazolo[3,4-e][1,3]oxazin-3-yl)pentitol

group of stereoisomers with the chemical formula C₁₀H₁₂N₄O₆

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Statements

group of stereoisomers

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chemical compound

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284.075684104 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₀H₁₂N₄O₆

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based on heuristic

inferred from SMILES

canonical SMILES

N=c1[nH]c(=O)c2n[nH]c(C3OC(CO)C(O)C3O)c2o1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

N=c1[nH]c(=O)c2n[nH]c(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2o1

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C10H12N4O6/c11-10-12-9(18)4-7(20-10)3(13-14-4)8-6(17)5(16)2(1-15)19-8/h2,5-6,8,15-17H,1H2,(H,13,14)(H2,11,12,18)/t2-,5-,6-,8?/m1/s1

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LEOBQDISFVFUFQ-OHMBEFDKSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID801356901

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