Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n2c1c(ncnc1n(c2)C3OC(CC3O)CO)N |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)C[C@H]3O |
SMILES | CACTVS | 3.341 | Nc1ncnc2n(cnc12)[CH]3O[CH](CO)C[CH]3O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)C3C(CC(O3)CO)O)N |
InChI | InChI | 1.03 | InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1 |
InChIKey | InChI | 1.03 | OFEZSBMBBKLLBJ-BAJZRUMYSA-N |