Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cccc2nc(n3nc(nc3c12)N)Cc4ccc5OCOc5c4 |
InChI | InChI | 1.03 | InChI=1S/C17H12FN5O2/c18-10-2-1-3-11-15(10)16-21-17(19)22-23(16)14(20-11)7-9-4-5-12-13(6-9)25-8-24-12/h1-6H,7-8H2,(H2,19,22) |
InChIKey | InChI | 1.03 | OWLAKERMHYDWTB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1nn2c(Cc3ccc4OCOc4c3)nc5cccc(F)c5c2n1 |
SMILES | CACTVS | 3.385 | Nc1nn2c(Cc3ccc4OCOc4c3)nc5cccc(F)c5c2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N |