Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(CC)CC(CO)(C)Nc2c1c(cc(cn1)F)nc(n2)N |
InChI | InChI | 1.03 | InChI=1S/C14H20FN5O/c1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11/h6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | HTCJUBZBSJQWBW-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@](C)(CO)Nc1nc(N)nc2cc(F)cnc12 |
SMILES | CACTVS | 3.385 | CCCC[C](C)(CO)Nc1nc(N)nc2cc(F)cnc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC[C@](C)(CO)Nc1c2c(cc(cn2)F)nc(n1)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC(C)(CO)Nc1c2c(cc(cn2)F)nc(n1)N |