Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N3CCN(c2nc1cc(OC)c(OC)cc1c(n2)N)CC3)c4occc4 |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4occc4 |
SMILES | CACTVS | 3.370 | COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4occc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4 |
SMILES | OpenEye OEToolkits | 1.7.0 | COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4 |
InChI | InChI | 1.03 | InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) |
InChIKey | InChI | 1.03 | IENZQIKPVFGBNW-UHFFFAOYSA-N |