Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cn1nc(nc1CCc1nc2ccccc2nc1C)N1CCCC1 |
InChI | InChI | 1.03 | InChI=1S/C18H22N6/c1-13-14(20-16-8-4-3-7-15(16)19-13)9-10-17-21-18(22-23(17)2)24-11-5-6-12-24/h3-4,7-8H,5-6,9-12H2,1-2H3 |
InChIKey | InChI | 1.03 | ZUAIWYADJGPJRY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(nc1CCc2nc3ccccc3nc2C)N4CCCC4 |
SMILES | CACTVS | 3.385 | Cn1nc(nc1CCc2nc3ccccc3nc2C)N4CCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(nc2ccccc2n1)CCc3nc(nn3C)N4CCCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(nc2ccccc2n1)CCc3nc(nn3C)N4CCCC4 |