Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H15N3O4/c1-26-21(25)17-10-15(14-7-8-18-19(9-14)28-12-27-18)22-20-11-16(23-24(17)20)13-5-3-2-4-6-13/h2-11H,12H2,1H3 |
InChIKey | InChI | 1.03 | DCSWTUKGGUNNLU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1cc(nc2cc(nn12)c3ccccc3)c4ccc5OCOc5c4 |
SMILES | CACTVS | 3.385 | COC(=O)c1cc(nc2cc(nn12)c3ccccc3)c4ccc5OCOc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1cc(nc2n1nc(c2)c3ccccc3)c4ccc5c(c4)OCO5 |
SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1cc(nc2n1nc(c2)c3ccccc3)c4ccc5c(c4)OCO5 |