Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1nc2n(c(nc2c(n1)N)Cc3ccc4OCOc4c3)CCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCn1c(Cc2ccc3OCOc3c2)nc4c(N)nc(F)nc14 |
SMILES | CACTVS | 3.341 | CCCCn1c(Cc2ccc3OCOc3c2)nc4c(N)nc(F)nc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCn1c(nc2c1nc(nc2N)F)Cc3ccc4c(c3)OCO4 |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCn1c(nc2c1nc(nc2N)F)Cc3ccc4c(c3)OCO4 |
InChI | InChI | 1.03 | InChI=1S/C17H18FN5O2/c1-2-3-6-23-13(20-14-15(19)21-17(18)22-16(14)23)8-10-4-5-11-12(7-10)25-9-24-11/h4-5,7H,2-3,6,8-9H2,1H3,(H2,19,21,22) |
InChIKey | InChI | 1.03 | ARWHTQLGMWHTAZ-UHFFFAOYSA-N |