Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [N@H]=C(N)c1ccc2nc(nc2c1)c4nnc(c3ccccc3)c4O |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)c1ccc2[nH]c(nc2c1)c3n[nH]c(c3O)c4ccccc4 |
SMILES | CACTVS | 3.341 | NC(=N)c1ccc2[nH]c(nc2c1)c3n[nH]c(c3O)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\c1ccc2c(c1)nc([nH]2)c3c(c([nH]n3)c4ccccc4)O)/N |
SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(c1ccc2c(c1)nc([nH]2)c3c(c([nH]n3)c4ccccc4)O)N |
InChI | InChI | 1.03 | InChI=1S/C17H14N6O/c18-16(19)10-6-7-11-12(8-10)21-17(20-11)14-15(24)13(22-23-14)9-4-2-1-3-5-9/h1-8,24H,(H3,18,19)(H,20,21)(H,22,23) |
InChIKey | InChI | 1.03 | CKSIVONWCYACAP-UHFFFAOYSA-N |