Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c4c(c1cccnc1)cnc4ncc2c3cnnc3 |
InChI | InChI | 1.06 | InChI=1S/C14H10N6/c1-2-9(4-15-3-1)11-7-16-14-13(11)20-12(8-17-14)10-5-18-19-6-10/h1-8H,(H,16,17)(H,18,19) |
InChIKey | InChI | 1.06 | PSBXDBLDXUYIFG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | [nH]1cc(cn1)c2cnc3[nH]cc(c4cccnc4)c3n2 |
SMILES | CACTVS | 3.385 | [nH]1cc(cn1)c2cnc3[nH]cc(c4cccnc4)c3n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)c2c[nH]c3c2nc(cn3)c4c[nH]nc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)c2c[nH]c3c2nc(cn3)c4c[nH]nc4 |