Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n2c(OCC1CCCCC1)c3nc(nc3nc2N)C(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)c1[nH]c2nc(N)nc(OCC3CCCCC3)c2n1 |
SMILES | CACTVS | 3.341 | CC(C)c1[nH]c2nc(N)nc(OCC3CCCCC3)c2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3 |
InChI | InChI | 1.03 | InChI=1S/C15H23N5O/c1-9(2)12-17-11-13(18-12)19-15(16)20-14(11)21-8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H3,16,17,18,19,20) |
InChIKey | InChI | 1.03 | JABXNQUXGJTKRO-UHFFFAOYSA-N |