Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c1cccnn1c(c2Nc3nncc3)c5nc(nc(Nc4nccnc4)c5)C |
InChI | InChI | 1.03 | InChI=1S/C18H15N11/c1-11-23-12(9-14(24-11)25-15-10-19-7-8-20-15)17-18(26-13-4-6-21-28-13)27-16-3-2-5-22-29(16)17/h2-10H,1H3,(H2,21,26,28)(H,20,23,24,25) |
InChIKey | InChI | 1.03 | ABQRVDGZZXHLLT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1nc(Nc2cnccn2)cc(n1)c3n4ncccc4nc3Nc5cc[nH]n5 |
SMILES | CACTVS | 3.370 | Cc1nc(Nc2cnccn2)cc(n1)c3n4ncccc4nc3Nc5cc[nH]n5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1nc(cc(n1)Nc2cnccn2)c3c(nc4n3nccc4)Nc5cc[nH]n5 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1nc(cc(n1)Nc2cnccn2)c3c(nc4n3nccc4)Nc5cc[nH]n5 |