| Properties | Image |
MNX_ID | MNXM101552 |
 |
reference | chebi:68467 |
formula | C11H14N4O5 |
global charge | 0 |
mol weight | 282.256 |
InChIKey | HPHXOIULGYVAKW-IOSLPCCCSA-N |
InChI | InChI=1S/C11H14N4O5/c1-19-8-7(17)5(2-16)20-11(8)15-4-14-6-9(15)12-3-13-10(6)18/h3-5,7-8,11,16-17H,2H2,1H3,(H,12,13,18)/t5-,7-,8-,11-/m1/s1 |
SMILES | CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C1N=CNC2=O |
MNX internals
InChI (mnx) | InChI=1/C11H14N4O5/c1-19-8-7(17)5(2-16)20-11(8)15-4-14-6-9(15)12-3-13-10(6)18/h3-5,7-8,11,16-17H,2H2,1H3,(H,12,13,18)/t5-,7-,8-,11-/m1/s1 |
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SMILES (mnx) | [CH3:1][O:19][C@@H:8]1[C@H:7]([OH:17])[C@@H:5]([CH2:2][OH:16])[O:20][C@H:11]1[N:15]1[CH:4]=[N:14][C:6]2=[C:9]1[N:12]=[CH:3][N:13]=[C:10]2[OH:18] |
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