Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C4N=Nc5nnc(c1c3ccccn3nc1c2ccccc2)cc45 |
InChI | InChI | 1.03 | InChI=1S/C18H10N6O/c25-18-12-10-13(19-20-17(12)21-22-18)15-14-8-4-5-9-24(14)23-16(15)11-6-2-1-3-7-11/h1-10H |
InChIKey | InChI | 1.03 | RURYGRIJIZXNQD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O=C1N=Nc2nnc(cc12)c3c4ccccn4nc3c5ccccc5 |
SMILES | CACTVS | 3.370 | O=C1N=Nc2nnc(cc12)c3c4ccccn4nc3c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(nn4)N=NC5=O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(nn4)N=NC5=O |