Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | n2c(c(C#CCc1cc(OC)c(OC)c(OC)c1)c(nc2N)N)CC |
SMILES_CANONICAL | CACTVS | 3.352 | CCc1nc(N)nc(N)c1C#CCc2cc(OC)c(OC)c(OC)c2 |
SMILES | CACTVS | 3.352 | CCc1nc(N)nc(N)c1C#CCc2cc(OC)c(OC)c(OC)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCc1c(c(nc(n1)N)N)C#CCc2cc(c(c(c2)OC)OC)OC |
SMILES | OpenEye OEToolkits | 1.7.0 | CCc1c(c(nc(n1)N)N)C#CCc2cc(c(c(c2)OC)OC)OC |
InChI | InChI | 1.03 | InChI=1S/C18H22N4O3/c1-5-13-12(17(19)22-18(20)21-13)8-6-7-11-9-14(23-2)16(25-4)15(10-11)24-3/h9-10H,5,7H2,1-4H3,(H4,19,20,21,22) |
InChIKey | InChI | 1.03 | VPNXKXUNASBBLU-UHFFFAOYSA-N |