Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(cc(cc1N)CCc2nc(ccc2)CCc3nc(N)cc(c3)C)C |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)n2)c1 |
SMILES | CACTVS | 3.370 | Cc1cc(N)nc(CCc2cccc(CCc3cc(C)nc(N)c3)n2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(nc(c3)N)C |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(nc(c3)N)C |
InChI | InChI | 1.03 | InChI=1S/C21H25N5/c1-14-10-19(26-20(22)11-14)9-8-18-5-3-4-17(25-18)7-6-16-12-15(2)24-21(23)13-16/h3-5,10-13H,6-9H2,1-2H3,(H2,22,26)(H2,23,24) |
InChIKey | InChI | 1.03 | ZMKGFXFDYMNDSP-UHFFFAOYSA-N |