Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(c1cc(cc(OC)c1OC)Cc2c(nc(N)[nH+]c2)N)C |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(Cc2c[nH+]c(N)nc2N)cc(OC)c1OC |
SMILES | CACTVS | 3.341 | COc1cc(Cc2c[nH+]c(N)nc2N)cc(OC)c1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc(cc(c1OC)OC)Cc2c[nH+]c(nc2N)N |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc(cc(c1OC)OC)Cc2c[nH+]c(nc2N)N |
InChI | InChI | 1.03 | InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)/p+1 |
InChIKey | InChI | 1.03 | IEDVJHCEMCRBQM-UHFFFAOYSA-O |