Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Brc4ccc(c2c(c1c(N=C(N)NC1=O)n2)c3ccccc3)cc4 |
InChI | InChI | 1.03 | InChI=1S/C18H13BrN4O/c19-12-8-6-11(7-9-12)15-13(10-4-2-1-3-5-10)14-16(21-15)22-18(20)23-17(14)24/h1-9H,(H4,20,21,22,23,24) |
InChIKey | InChI | 1.03 | QRTLRDCVNXIKGA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2[nH]c(c3ccc(Br)cc3)c(c4ccccc4)c2C(=O)N1 |
SMILES | CACTVS | 3.385 | NC1=Nc2[nH]c(c3ccc(Br)cc3)c(c4ccccc4)c2C(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2c3c([nH]c2c4ccc(cc4)Br)N=C(NC3=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2c3c([nH]c2c4ccc(cc4)Br)N=C(NC3=O)N |