Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)Oc1cc2c(cc1)nnc2c3ccnc(c3)N4CCOCC4 |
InChI | InChI | 1.03 | InChI=1S/C19H22N4O2/c1-13(2)25-15-3-4-17-16(12-15)19(22-21-17)14-5-6-20-18(11-14)23-7-9-24-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,21,22) |
InChIKey | InChI | 1.03 | BGTSLFFCVKEYPT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1ccc2[nH]nc(c3ccnc(c3)N4CCOCC4)c2c1 |
SMILES | CACTVS | 3.385 | CC(C)Oc1ccc2[nH]nc(c3ccnc(c3)N4CCOCC4)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)Oc1ccc2c(c1)c(n[nH]2)c3ccnc(c3)N4CCOCC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)Oc1ccc2c(c1)c(n[nH]2)c3ccnc(c3)N4CCOCC4 |