Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=Cc1cccc(c1)c3c(C#N)c2c(nc(nc2n3)N)N4CCCC4 |
InChI | InChI | 1.03 | InChI=1S/C18H16N6O/c19-9-13-14-16(21-15(13)12-5-3-4-11(8-12)10-25)22-18(20)23-17(14)24-6-1-2-7-24/h3-5,8,10H,1-2,6-7H2,(H3,20,21,22,23) |
InChIKey | InChI | 1.03 | YJUYKLYWYFTFQN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc2[nH]c(c3cccc(C=O)c3)c(C#N)c2c(n1)N4CCCC4 |
SMILES | CACTVS | 3.385 | Nc1nc2[nH]c(c3cccc(C=O)c3)c(C#N)c2c(n1)N4CCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)c2c(c3c([nH]2)nc(nc3N4CCCC4)N)C#N)C=O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)c2c(c3c([nH]2)nc(nc3N4CCCC4)N)C#N)C=O |