Summary

Molecular formula: C10H13N5O6
SMILES: OCC1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)n1nnc2c(c1=O)[nH]cn2
InChI: InChI=1S/C10H13N5O6/c16-1-3-5(17)6(18)7(19)10(21-3)15-9(20)4-8(13-14-15)12-2-11-4/h2-3,5-7,10,16-19H,1H2,(H,11,12)/t3?,5-,6+,7-,10-/m1/s1
InChIKey: PYDYQIZPDUHKRL-HQFWVWBGSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2[nH]cnc2nnn1C1CCCCO1

Scaffold Graph/Node level:
OC1C2NCNC2NNN1C1CCCCO1

Scaffold Graph level:
CC1C2CCCC2CCC1C1CCCCC1

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Chemical classification

Kingdom: Organic compounds
Super class: Organic oxygen compounds
Class: Organooxygen compounds
Sub class: Carbohydrates and carbohydrate conjugates

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Synonymous chemical names:
3-[(2R,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3H,4H,5H-imidazo[4,5-d][1,2,3]triazin-4-one

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External chemical identifiers:
NPATLAS_NPA023901

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Chemical structure download