Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c(Nc1cccnc1)cc(nc2N3CCOCC3)c4cccc(O)c4 |
SMILES_CANONICAL | CACTVS | 3.370 | Oc1cccc(c1)c2cc(Nc3cccnc3)nc(n2)N4CCOCC4 |
SMILES | CACTVS | 3.370 | Oc1cccc(c1)c2cc(Nc3cccnc3)nc(n2)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)O)c2cc(nc(n2)N3CCOCC3)Nc4cccnc4 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)O)c2cc(nc(n2)N3CCOCC3)Nc4cccnc4 |
InChI | InChI | 1.03 | InChI=1S/C19H19N5O2/c25-16-5-1-3-14(11-16)17-12-18(21-15-4-2-6-20-13-15)23-19(22-17)24-7-9-26-10-8-24/h1-6,11-13,25H,7-10H2,(H,21,22,23) |
InChIKey | InChI | 1.03 | VPAXYWZGMCIWNR-UHFFFAOYSA-N |