Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3c(COc2cc(nc1nnnc12)N)cccc3c4ccn(C)n4 |
InChI | InChI | 1.03 | InChI=1S/C16H15N7O/c1-23-6-5-12(21-23)11-4-2-3-10(7-11)9-24-13-8-14(17)18-16-15(13)19-22-20-16/h2-8H,9H2,1H3,(H3,17,18,19,20,22) |
InChIKey | InChI | 1.03 | WGMJNFFLMIILAZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccc(n1)c2cccc(COc3cc(N)nc4nn[nH]c34)c2 |
SMILES | CACTVS | 3.385 | Cn1ccc(n1)c2cccc(COc3cc(N)nc4nn[nH]c34)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1ccc(n1)c2cccc(c2)COc3cc(nc4c3[nH]nn4)N |
SMILES | OpenEye OEToolkits | 2.0.6 | Cn1ccc(n1)c2cccc(c2)COc3cc(nc4c3[nH]nn4)N |