| Properties | Image |
MNX_ID | MNXM55741 |
 |
reference | chebi:64654 |
formula | C10H11N5O4*2 |
global charge | 0 |
mol weight | |
InChIKey | |
InChI | |
SMILES | [*]C[C@H]1O[C@@H](N2C=NC3=C2N=C(N)NC3=O)[C@H](O)[C@@H]1O[*] |
MNX internals
InChI (mnx) | InChI=1/C12H17N5O4/c1-3-5-8(20-2)7(18)11(21-5)17-4-14-6-9(17)15-12(13)16-10(6)19/h4-5,7-8,11,18H,3H2,1-2H3,(H3,13,15,16,19)/t5-,7-,8-,11-/m1/s1/i1+1,2+1 |
 |
SMILES (mnx) | [13CH3:1][CH2:3][C@@H:5]1[C@@H:8]([O:20][13CH3:2])[C@@H:7]([OH:18])[C@H:11]([N:17]2[CH:4]=[N:14][C:6]3=[C:9]2[NH:15][C:12](=[NH:13])[N:16]=[C:10]3[OH:19])[O:21]1 |
|