Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)c4ccc1c(C(c2c(O1)nc(c(c2)c3nnnn3)N)=O)c4 |
InChI | InChI | 1.03 | InChI=1S/C16H14N6O2/c1-7(2)8-3-4-12-9(5-8)13(23)10-6-11(15-19-21-22-20-15)14(17)18-16(10)24-12/h3-7H,1-2H3,(H2,17,18)(H,19,20,21,22) |
InChIKey | InChI | 1.03 | YHCFWEQYIPEHCK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)c4[nH]nnn4 |
SMILES | CACTVS | 3.385 | CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)c4[nH]nnn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)c4[nH]nnn4 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)c4[nH]nnn4 |