Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1C=CN(N=C1c1ccnn1c1cc(Br)ccc1)c1ccncc1 |
InChI | InChI | 1.03 | InChI=1S/C18H12BrN5O/c19-13-2-1-3-15(12-13)24-16(6-10-21-24)18-17(25)7-11-23(22-18)14-4-8-20-9-5-14/h1-12H |
InChIKey | InChI | 1.03 | YVZCBIBNWBUADR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Brc1cccc(c1)n2nccc2C3=NN(C=CC3=O)c4ccncc4 |
SMILES | CACTVS | 3.385 | Brc1cccc(c1)n2nccc2C3=NN(C=CC3=O)c4ccncc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Br)n2c(ccn2)C3=NN(C=CC3=O)c4ccncc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Br)n2c(ccn2)C3=NN(C=CC3=O)c4ccncc4 |