Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3(Nc2cc1c(ncn1C(C)C)cn2)ccnc(n3)c4cn(nc4)S(C5CC5)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C19H20N8O2S/c1-12(2)26-11-22-15-9-21-18(7-16(15)26)24-17-5-6-20-19(25-17)13-8-23-27(10-13)30(28,29)14-3-4-14/h5-12,14H,3-4H2,1-2H3,(H,20,21,24,25) |
InChIKey | InChI | 1.03 | KFXLXULLMZFVJO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1cnc2cnc(Nc3ccnc(n3)c4cnn(c4)[S](=O)(=O)C5CC5)cc12 |
SMILES | CACTVS | 3.385 | CC(C)n1cnc2cnc(Nc3ccnc(n3)c4cnn(c4)[S](=O)(=O)C5CC5)cc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC(C)n1cnc2c1cc(nc2)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5 |
SMILES | OpenEye OEToolkits | 2.0.4 | CC(C)n1cnc2c1cc(nc2)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5 |