Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cn1nc(nc1CCc1nc2ccc3ccccc3n2n1)N1CCCC1 |
InChI | InChI | 1.03 | InChI=1S/C19H21N7/c1-24-17(21-19(23-24)25-12-4-5-13-25)11-9-16-20-18-10-8-14-6-2-3-7-15(14)26(18)22-16/h2-3,6-8,10H,4-5,9,11-13H2,1H3 |
InChIKey | InChI | 1.03 | LFJNLJMXVAODRF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(nc1CCc2nn3c(ccc4ccccc34)n2)N5CCCC5 |
SMILES | CACTVS | 3.385 | Cn1nc(nc1CCc2nn3c(ccc4ccccc34)n2)N5CCCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(nc(n1)N2CCCC2)CCc3nc4ccc5ccccc5n4n3 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(nc(n1)N2CCCC2)CCc3nc4ccc5ccccc5n4n3 |