Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COCc1cnn(C)c1C(=O)Nc1ccn2nc(nc2c1)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C19H18N6O2/c1-24-17(14(11-20-24)12-27-2)19(26)21-15-8-9-25-16(10-15)22-18(23-25)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,26) |
InChIKey | InChI | 1.03 | XEUXRKFQXNOHIM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCc1cnn(C)c1C(=O)Nc2ccn3nc(nc3c2)c4ccccc4 |
SMILES | CACTVS | 3.385 | COCc1cnn(C)c1C(=O)Nc2ccn3nc(nc3c2)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(c(cn1)COC)C(=O)Nc2ccn3c(c2)nc(n3)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(c(cn1)COC)C(=O)Nc2ccn3c(c2)nc(n3)c4ccccc4 |