Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1c2ncn(c2N=CN1)C3OC(C(O)C3)CO |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3C(=O)NC=Nc23 |
SMILES | CACTVS | 3.341 | OC[CH]1O[CH](C[CH]1O)n2cnc3C(=O)NC=Nc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC2=O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1C3CC(C(O3)CO)O)N=CNC2=O |
InChI | InChI | 1.03 | InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1 |
InChIKey | InChI | 1.03 | VGONTNSXDCQUGY-RRKCRQDMSA-N |