Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC3OC(N2C(=O)n1c(ncc1)C=C2)CC3O |
InChI | InChI | 1.03 | InChI=1S/C11H14N3O7P/c15-7-5-10(21-8(7)6-20-22(17,18)19)14-3-1-9-12-2-4-13(9)11(14)16/h1-4,7-8,10,15H,5-6H2,(H2,17,18,19)/t7-,8+,10+/m0/s1 |
InChIKey | InChI | 1.03 | GFTHJCBXWZWVBW-QXFUBDJGSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=Cc3nccn3C2=O |
SMILES | CACTVS | 3.370 | O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=Cc3nccn3C2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cn2c(n1)C=CN(C2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cn2c(n1)C=CN(C2=O)C3CC(C(O3)COP(=O)(O)O)O |