Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OCC)c1ncn(c1C)c1cccc(c1)Oc1cccc(c1)n1cnc(c1C)C(=O)OCC |
InChI | InChI | 1.03 | InChI=1S/C26H26N4O5/c1-5-33-25(31)23-17(3)29(15-27-23)19-9-7-11-21(13-19)35-22-12-8-10-20(14-22)30-16-28-24(18(30)4)26(32)34-6-2/h7-16H,5-6H2,1-4H3 |
InChIKey | InChI | 1.03 | YVDZDIMTNKYKAP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1ncn(c1C)c2cccc(Oc3cccc(c3)n4cnc(C(=O)OCC)c4C)c2 |
SMILES | CACTVS | 3.385 | CCOC(=O)c1ncn(c1C)c2cccc(Oc3cccc(c3)n4cnc(C(=O)OCC)c4C)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1c(n(cn1)c2cccc(c2)Oc3cccc(c3)n4cnc(c4C)C(=O)OCC)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1c(n(cn1)c2cccc(c2)Oc3cccc(c3)n4cnc(c4C)C(=O)OCC)C |