Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc3ccc(c2c(c1ccc(O)cc1)c(nn2)N)c(O)c3 |
InChI | InChI | 1.03 | InChI=1S/C15H13N3O3/c16-15-13(8-1-3-9(19)4-2-8)14(17-18-15)11-6-5-10(20)7-12(11)21/h1-7,19-21H,(H3,16,17,18) |
InChIKey | InChI | 1.03 | QJXCNANYVSBOBZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1n[nH]c(c2ccc(O)cc2O)c1c3ccc(O)cc3 |
SMILES | CACTVS | 3.370 | Nc1n[nH]c(c2ccc(O)cc2O)c1c3ccc(O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3O)O)O |