Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3cnc1c(c(cn1)c2nc(N)nc(c2)CCCC)c3 |
InChI | InChI | 1.03 | InChI=1S/C15H17N5/c1-2-3-5-10-8-13(20-15(16)19-10)12-9-18-14-11(12)6-4-7-17-14/h4,6-9H,2-3,5H2,1H3,(H,17,18)(H2,16,19,20) |
InChIKey | InChI | 1.03 | JPZHGBZYRNZXPJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCc1cc(nc(N)n1)c2c[nH]c3ncccc23 |
SMILES | CACTVS | 3.385 | CCCCc1cc(nc(N)n1)c2c[nH]c3ncccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCCCc1cc(nc(n1)N)c2c[nH]c3c2cccn3 |
SMILES | OpenEye OEToolkits | 2.0.4 | CCCCc1cc(nc(n1)N)c2c[nH]c3c2cccn3 |