Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC(F)(P(=O)(O)O)CCCCn1c2N=C(NC(=O)c2nc1)N |
SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2n(CCCCC(F)(F)[P](O)(O)=O)cnc2C(=O)N1 |
SMILES | CACTVS | 3.341 | NC1=Nc2n(CCCCC(F)(F)[P](O)(O)=O)cnc2C(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1CCCCC(F)(F)P(=O)(O)O)N=C(NC2=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1CCCCC(F)(F)P(=O)(O)O)N=C(NC2=O)N |
InChI | InChI | 1.03 | InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18) |
InChIKey | InChI | 1.03 | JANQQPWTLXUSCD-UHFFFAOYSA-N |