Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1N(C(=NN1)c2c(O)cc(O)c(c2)C(C)C)c4cc3ccn(c3cc4)C |
InChI | InChI | 1.03 | InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27) |
InChIKey | InChI | 1.03 | RVAQIUULWULRNW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)c1cc(c(O)cc1O)C2=NNC(=O)N2c3ccc4n(C)ccc4c3 |
SMILES | CACTVS | 3.370 | CC(C)c1cc(c(O)cc1O)C2=NNC(=O)N2c3ccc4n(C)ccc4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(C)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccc4c(c3)ccn4C |
SMILES | OpenEye OEToolkits | 1.7.2 | CC(C)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccc4c(c3)ccn4C |