Summary

Molecular formula: C10H13N5O7
SMILES: OCC1O[C@H]([C@@H]([C@H](C1O)O)O)n1nnc2c(c1=O)[nH]c(=O)[nH]2
InChI: InChI=1S/C10H13N5O7/c16-1-2-4(17)5(18)6(19)9(22-2)15-8(20)3-7(13-14-15)12-10(21)11-3/h2,4-6,9,16-19H,1H2,(H2,11,12,21)/t2?,4?,5-,6+,9+/m0/s1
InChIKey: VSJLOSHYLAZFPD-BHLXKWOMSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1[nH]c2nnn(C3CCCCO3)c(=O)c2[nH]1

Scaffold Graph/Node level:
OC1NC2NNN(C3CCCCO3)C(O)C2N1

Scaffold Graph level:
CC1CC2CCC(C3CCCCC3)C(C)C2C1

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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)-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_NPA023898

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Chemical structure download