Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | Fc1ccc(cc1)C(Nc4ncnc(c2c3ncccn3nc2N)c4)C |
SMILES_CANONICAL | CACTVS | 3.352 | C[C@H](Nc1cc(ncn1)c2c(N)nn3cccnc23)c4ccc(F)cc4 |
SMILES | CACTVS | 3.352 | C[CH](Nc1cc(ncn1)c2c(N)nn3cccnc23)c4ccc(F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@@H](c1ccc(cc1)F)Nc2cc(ncn2)c3c(nn4c3nccc4)N |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(c1ccc(cc1)F)Nc2cc(ncn2)c3c(nn4c3nccc4)N |
InChI | InChI | 1.03 | InChI=1S/C18H16FN7/c1-11(12-3-5-13(19)6-4-12)24-15-9-14(22-10-23-15)16-17(20)25-26-8-2-7-21-18(16)26/h2-11H,1H3,(H2,20,25)(H,22,23,24)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | PNFXHJHLWYEAPD-NSHDSACASA-N |