| Properties | Image |
MNX_ID | MNXM102120 |
 |
reference | chebi:70972 |
formula | C11H14N4O5 |
global charge | 0 |
mol weight | 282.256 |
InChIKey | UQQHOWKTDKKTHO-IOSLPCCCSA-N |
InChI | InChI=1S/C11H14N4O5/c1-19-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1 |
SMILES | COC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
MNX internals
InChI (mnx) | InChI=1/C11H14N4O5/c1-19-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1 |
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SMILES (mnx) | [CH3:1][O:19][C:10]1=[N:13][CH:3]=[N:12][C:9]2=[C:6]1[N:14]=[CH:4][N:15]2[C@H:11]1[C@H:8]([OH:18])[C@H:7]([OH:17])[C@@H:5]([CH2:2][OH:16])[O:20]1 |
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