Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(cccc1c4c(c2cccc(O)c2)nc3c(c(nc(n3)N)N)n4)O |
InChI | InChI | 1.03 | InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24) |
InChIKey | InChI | 1.03 | UJIAQDJKSXQLIT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(N)c2nc(c3cccc(O)c3)c(nc2n1)c4cccc(O)c4 |
SMILES | CACTVS | 3.385 | Nc1nc(N)c2nc(c3cccc(O)c3)c(nc2n1)c4cccc(O)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)O)c2c(nc3c(n2)c(nc(n3)N)N)c4cccc(c4)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)O)c2c(nc3c(n2)c(nc(n3)N)N)c4cccc(c4)O |