Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1ccc2c(NC(=O)CN2c2nc(NC3CC3)nc3CCCc32)c1 |
InChI | InChI | 1.03 | InChI=1S/C19H21N5O2/c1-26-12-7-8-16-15(9-12)21-17(25)10-24(16)18-13-3-2-4-14(13)22-19(23-18)20-11-5-6-11/h7-9,11H,2-6,10H2,1H3,(H,21,25)(H,20,22,23) |
InChIKey | InChI | 1.03 | PQVFTRMKRDTVIW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2N(CC(=O)Nc2c1)c3nc(NC4CC4)nc5CCCc35 |
SMILES | CACTVS | 3.385 | COc1ccc2N(CC(=O)Nc2c1)c3nc(NC4CC4)nc5CCCc35 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)NC5CC5)CCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)NC5CC5)CCC4 |