Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2ccn4c(c1cn(nc1)CC(OC)C)c(nc4c2N3CCOCC3)C |
InChI | InChI | 1.03 | InChI=1S/C18H24N6O2/c1-13(25-3)11-23-12-15(10-20-23)16-14(2)21-18-17(19-4-5-24(16)18)22-6-8-26-9-7-22/h4-5,10,12-13H,6-9,11H2,1-3H3/t13-/m0/s1 |
InChIKey | InChI | 1.03 | DPAWKOUFAHFNNS-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H](C)Cn1cc(cn1)c2n3ccnc(N4CCOCC4)c3nc2C |
SMILES | CACTVS | 3.385 | CO[CH](C)Cn1cc(cn1)c2n3ccnc(N4CCOCC4)c3nc2C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(n2ccnc(c2n1)N3CCOCC3)c4cnn(c4)C[C@H](C)OC |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(n2ccnc(c2n1)N3CCOCC3)c4cnn(c4)CC(C)OC |