Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1cncc1c2c(nnc2)c3cc(c(O)cc3O)CC |
SMILES_CANONICAL | CACTVS | 3.341 | CCc1cc(c(O)cc1O)c2n[nH]cc2c3c[nH]cn3 |
SMILES | CACTVS | 3.341 | CCc1cc(c(O)cc1O)c2n[nH]cc2c3c[nH]cn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCc1cc(c(cc1O)O)c2c(c[nH]n2)c3c[nH]cn3 |
SMILES | OpenEye OEToolkits | 1.5.0 | CCc1cc(c(cc1O)O)c2c(c[nH]n2)c3c[nH]cn3 |
InChI | InChI | 1.03 | InChI=1S/C14H14N4O2/c1-2-8-3-9(13(20)4-12(8)19)14-10(5-17-18-14)11-6-15-7-16-11/h3-7,19-20H,2H2,1H3,(H,15,16)(H,17,18) |
InChIKey | InChI | 1.03 | ATORUNMAUREKMH-UHFFFAOYSA-N |