Summary

Molecular formula: C10H13N5O7
SMILES: OCC1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)n1c(=O)[nH]c2c1c(=O)[nH]nn2
InChI: InChI=1S/C10H13N5O7/c16-1-2-4(17)5(18)6(19)9(22-2)15-3-7(11-10(15)21)12-14-13-8(3)20/h2,4-6,9,16-19H,1H2,(H2,11,12,13,20,21)/t2?,4-,5+,6-,9-/m0/s1
InChIKey: ONAOTWYINPONOS-KSQRSNSQSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1[nH]nnc2[nH]c(=O)n(C3CCCCO3)c12

Scaffold Graph/Node level:
OC1NNNC2NC(O)N(C3CCCCO3)C12

Scaffold Graph level:
CC1CC2CCCC(C)C2C1C1CCCCC1

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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:
5-[(2S,3S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3H,4H,5H,6H,7H-imidazo[4,5-d][1,2,3]triazine-4,6-dione

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External chemical identifiers:
NPATLAS_NPA023900

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Chemical structure download