Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(cc(nc1C(=N/c4nc(c2ncccc2)cc3c4cccc3)/N)C)C |
InChI | InChI | 1.03 | InChI=1S/C21H18N6/c1-13-11-14(2)25-21(24-13)19(22)27-20-16-8-4-3-7-15(16)12-18(26-20)17-9-5-6-10-23-17/h3-12H,1-2H3,(H2,22,26,27) |
InChIKey | InChI | 1.03 | YKSJLEVXPOMXPZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)nc(n1)C(N)=Nc2nc(cc3ccccc23)c4ccccn4 |
SMILES | CACTVS | 3.385 | Cc1cc(C)nc(n1)C(N)=Nc2nc(cc3ccccc23)c4ccccn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(nc(n1)C(=Nc2c3ccccc3cc(n2)c4ccccn4)N)C |